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

Systemtic Name: azepan-2-ylidene-(2,4-dimethoxyphenyl)-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]azanium Openeye Name: azepan-2-ylidene-(2,4-dimethoxyphenyl)-[2-oxo-2-(4-phenylphenyl)ethyl]ammonium CAS Name: 2-azepanylidene-(2,4-dimethoxyphenyl)-[2-oxo-2-(4-phenylphenyl)ethyl]ammonium IUPAC Name: azepan-2-ylidene-(2,4-dimethoxyphenyl)-[2-oxo-2-(4-phenylphenyl)ethyl]azanium Traditional Name: azepan-2-ylidene-(2,4-dimethoxyphenyl)-[2-keto-2-(4-phenylphenyl)ethyl]ammonium Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H30N2O3/c1-32-24-16-17-25(27(19-24)33-2)30(28-11-7-4-8-18-29-28)20-26(31)23-14-12-22(13-15-23)21-9-5-3-6-10-21/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20H2,1-2H3/p+1