1-butyl-1-methyl-4-phenyl-3H-1,5-benzodiazepin-1-ium-2-one

Systemtic Name: 1-butyl-1-methyl-4-phenyl-3H-1,5-benzodiazepin-1-ium-2-one Openeye Name: 1-butyl-1-methyl-4-phenyl-3H-1,5-benzodiazepin-1-ium-2-one CAS Name: 1-butyl-1-methyl-4-phenyl-3H-1,5-benzodiazepin-1-ium-2-one IUPAC Name: 1-butyl-1-methyl-4-phenyl-3H-1,5-benzodiazepin-1-ium-2-one Traditional Name: 1-butyl-1-methyl-4-phenyl-3H-1,5-benzodiazepin-1-ium-2-one Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)CC(=NC2=CC=CC=C21)C3=CC=CC=C3)C

Isomeric SMILES

CCCC[N+]1(C(=O)CC(=NC2=CC=CC=C21)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N2O/c1-3-4-14-22(2)19-13-9-8-12-17(19)21-18(15-20(22)23)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3/q+1