azepan-2-ylidene-(3-methylphenyl)-phenacyl-azanium

Systemtic Name: azepan-2-ylidene-(3-methylphenyl)-phenacyl-azanium Openeye Name: azepan-2-ylidene-(m-tolyl)-phenacyl-ammonium CAS Name: 2-azepanylidene-(3-methylphenyl)-phenacylammonium IUPAC Name: azepan-2-ylidene-(3-methylphenyl)-phenacylazanium Traditional Name: azepan-2-ylidene-(m-tolyl)-phenacyl-ammonium Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O/c1-17-9-8-12-19(15-17)23(21-13-6-3-7-14-22-21)16-20(24)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3/p+1