2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepin-5-ium

Systemtic Name: 2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepin-5-ium Openeye Name: 2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepin-5-ium CAS Name: 2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepin-5-ium IUPAC Name: 2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepin-5-ium Traditional Name: 2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepin-5-ium Formula: C17H17N2+ MolecularWeight: 249.33028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2/c1-12-8-9-15-17(10-12)18-13(2)11-16(19-15)14-6-4-3-5-7-14/h3-11,18H,1-2H3/p+1