7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine Traditional Name: (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amine Formula: C16H15ClN3O+ MolecularWeight: 300.7628

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)O)C3=CC=CC=C3

Isomeric SMILES

CNC1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)O)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3/p+1