azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-(2,5-dimethylphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-(2,5-dimethylphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-(2,5-dimethylphenyl)ammonium CAS Name: 2-azepanylidene-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-(2,5-dimethylphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-(2,5-dimethylphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-(2,5-dimethylphenyl)ammonium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-17-9-10-18(2)20(14-17)26(24-8-6-5-7-13-25-24)16-21(27)19-11-12-22(28-3)23(15-19)29-4/h9-12,14-15H,5-8,13,16H2,1-4H3/p+1