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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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