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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28N2O
Molecular Weight 312.4491
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYTAMINE, (S)-

SMILES

CCC1=CC=CC(CC)=C1[C@H](OCCN(C)C)C2=NC=CC=C2

InChI

InChIKey=NDOLHPQPHFXYLK-HXUWFJFHSA-N
InChI=1S/C20H28N2O/c1-5-16-10-9-11-17(6-2)19(16)20(23-15-14-22(3)4)18-12-7-8-13-21-18/h7-13,20H,5-6,14-15H2,1-4H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28N2O
Molecular Weight 312.4491
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VR18D77J5A
Record Status Validated (UNII)
Record Version