4-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]butan-1-ol

Systemtic Name: 4-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]butan-1-ol Openeye Name: 4-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]butan-1-ol CAS Name: 4-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]-1-butanol IUPAC Name: 4-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]butan-1-ol Traditional Name: 4-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]butan-1-ol Formula: C20H22ClN3O2 MolecularWeight: 371.86058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCO)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(CCCCO)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O2/c1-23(11-5-6-12-25)19-14-24(26)20(15-7-3-2-4-8-15)17-13-16(21)9-10-18(17)22-19/h2-4,7-10,13,25H,5-6,11-12,14H2,1H3