trimethyl-[2-(5-oxidanylidene-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]azanium

Systemtic Name: trimethyl-[2-(5-oxidanylidene-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]azanium Openeye Name: trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]ammonium CAS Name: trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]ammonium IUPAC Name: trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]azanium Traditional Name: 2-(5-keto-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl-trimethyl-ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)N1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C[N+](C)(C)C)N1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N3O/c1-17(16-24(2,3)4)22-14-15-23(18-10-6-5-7-11-18)20-13-9-8-12-19(20)21(22)25/h5-13,17H,14-16H2,1-4H3/q+1