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

Systemtic Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(4-ethoxyphenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(4-ethoxyphenyl)-[2-(4-ethoxyphenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(4-ethoxyphenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(2-keto-2-p-phenetyl-ethyl)-p-phenetyl-ammonium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=C(C=C3)OCC

InChI

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