Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H18N2.ClH.H2O |
| Molecular Weight | 328.836 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | MM2 minimum energy for E and Z isomers are 20 and 31 kcal/mol respectivly. Assumed E-isomer |
SHOW SMILES / InChI
SMILES
O.Cl.CN(C)C1=CC=C(\C=C\C2=CC=NC3=C2C=CC=C3)C=C1
InChI
InChIKey=VCYXMVUPIHHTGM-WRQJSNHTSA-N
InChI=1S/C19H18N2.ClH.H2O/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19;;/h3-14H,1-2H3;1H;1H2/b10-7+;;
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
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Systematic Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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137321702
Created by
admin on Mon Mar 31 17:34:24 GMT 2025 , Edited by admin on Mon Mar 31 17:34:24 GMT 2025
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PRIMARY | |||
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22189-27-1
Created by
admin on Mon Mar 31 17:34:24 GMT 2025 , Edited by admin on Mon Mar 31 17:34:24 GMT 2025
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PRIMARY | |||
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330A2256OJ
Created by
admin on Mon Mar 31 17:34:24 GMT 2025 , Edited by admin on Mon Mar 31 17:34:24 GMT 2025
|
PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD