7-chloranyl-N,N-dimethyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine

Systemtic Name: 7-chloranyl-N,N-dimethyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine Openeye Name: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine CAS Name: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine IUPAC Name: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine Traditional Name: (7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-dimethyl-amine Formula: C17H16ClN3O MolecularWeight: 313.78144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O/c1-20(2)16-11-21(22)17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19-16/h3-10H,11H2,1-2H3