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

Systemtic Name: azepan-2-ylidene-(2-methoxyphenyl)-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]azanium Openeye Name: azepan-2-ylidene-(2-methoxyphenyl)-[2-oxo-2-(4-phenylphenyl)ethyl]ammonium CAS Name: 2-azepanylidene-(2-methoxyphenyl)-[2-oxo-2-(4-phenylphenyl)ethyl]ammonium IUPAC Name: azepan-2-ylidene-(2-methoxyphenyl)-[2-oxo-2-(4-phenylphenyl)ethyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(4-phenylphenyl)ethyl]-(2-methoxyphenyl)ammonium Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2/c1-31-26-13-8-7-12-24(26)29(27-14-6-3-9-19-28-27)20-25(30)23-17-15-22(16-18-23)21-10-4-2-5-11-21/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-20H2,1H3/p+1