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

Systemtic Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-(3-methylphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-(m-tolyl)ammonium CAS Name: 2-azepanylidene-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-(3-methylphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-(3-methylphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-(m-tolyl)ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-17-8-7-9-19(14-17)25(23-10-5-4-6-13-24-23)16-20(26)18-11-12-21(27-2)22(15-18)28-3/h7-9,11-12,14-15H,4-6,10,13,16H2,1-3H3/p+1