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

Systemtic Name: 7-chloranyl-N,N-diethyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine Openeye Name: 7-chloro-N,N-diethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine CAS Name: 7-chloro-N,N-diethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine IUPAC Name: 7-chloro-N,N-diethyl-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)-diethyl-amine Formula: C19H20ClN3O MolecularWeight: 341.8346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O/c1-3-22(4-2)18-13-23(24)19(14-8-6-5-7-9-14)16-12-15(20)10-11-17(16)21-18/h5-12H,3-4,13H2,1-2H3