azepan-2-ylidene-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]-(4-nitrophenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]-(4-nitrophenyl)azanium Openeye Name: azepan-2-ylidene-[2-(m-tolyl)-2-oxo-ethyl]-(4-nitrophenyl)ammonium CAS Name: 2-azepanylidene-[2-(3-methylphenyl)-2-oxoethyl]-(4-nitrophenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(3-methylphenyl)-2-oxoethyl]-(4-nitrophenyl)azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(m-tolyl)ethyl]-(4-nitrophenyl)ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-16-6-5-7-17(14-16)20(25)15-23(21-8-3-2-4-13-22-21)18-9-11-19(12-10-18)24(26)27/h5-7,9-12,14H,2-4,8,13,15H2,1H3/p+1