azepan-2-ylidene-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-phenyl-azanium

Systemtic Name: azepan-2-ylidene-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-phenyl-azanium Openeye Name: azepan-2-ylidene-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-phenyl-ammonium CAS Name: 2-azepanylidene-[2-(2,4-dimethylphenyl)-2-oxoethyl]-phenylammonium IUPAC Name: azepan-2-ylidene-[2-(2,4-dimethylphenyl)-2-oxoethyl]-phenylazanium Traditional Name: azepan-2-ylidene-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-phenyl-ammonium Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O/c1-17-12-13-20(18(2)15-17)21(25)16-24(19-9-5-3-6-10-19)22-11-7-4-8-14-23-22/h3,5-6,9-10,12-13,15H,4,7-8,11,14,16H2,1-2H3/p+1