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

Systemtic Name: azepan-2-ylidene-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-(2,4-dimethoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-(2,4-dimethoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(4-cyclohexylphenyl)-2-oxoethyl]-(2,4-dimethoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(4-cyclohexylphenyl)-2-oxoethyl]-(2,4-dimethoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-(2,4-dimethoxyphenyl)ammonium Formula: C28H37N2O3+ MolecularWeight: 449.60498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)C4CCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)C4CCCCC4)OC

InChI

InChI=1S/C28H36N2O3/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/h12-17,19,21H,3-11,18,20H2,1-2H3/p+1