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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c1-3-7-19(25)23(2)18-13-24(26)20(14-8-5-4-6-9-14)16-12-15(21)10-11-17(16)22-18/h4-6,8-12,19,25H,3,7,13H2,1-2H3