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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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