1,1-dimethyl-5,5-diphenyl-3,4,5a,6-tetrahydro-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 1,1-dimethyl-5,5-diphenyl-3,4,5a,6-tetrahydro-1,4-benzodiazepin-1-ium-2-one Openeye Name: 1,1-dimethyl-5,5-diphenyl-3,4,5a,6-tetrahydro-1,4-benzodiazepin-1-ium-2-one CAS Name: 1,1-dimethyl-5,5-diphenyl-3,4,5a,6-tetrahydro-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 1,1-dimethyl-5,5-diphenyl-3,4,5a,6-tetrahydro-1,4-benzodiazepin-1-ium-2-one Traditional Name: 1,1-dimethyl-5,5-diphenyl-3,4,5a,6-tetrahydro-1,4-benzodiazepin-1-ium-2-one Formula: C23H25N2O+ MolecularWeight: 345.4574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CNC(C2C1=CC=CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(C(=O)CNC(C2C1=CC=CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N2O/c1-25(2)21-16-10-9-15-20(21)23(24-17-22(25)26,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-14,16,20,24H,15,17H2,1-2H3/q+1