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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20N3O.Cl
Molecular Weight 353.845
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NILE BLUE

SMILES

[Cl-].CCN(CC)C1=CC2=[O+]C3=C(N=C2C=C1)C4=C(C=CC=C4)C(N)=C3

InChI

InChIKey=XJCPMUIIBDVFDM-UHFFFAOYSA-M
InChI=1S/C20H20N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12H,3-4,21H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H20N3O
Molecular Weight 318.3923
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
E58RL8T2X3
Record Status Validated (UNII)
Record Version