azepan-2-ylidene-(4-ethoxyphenyl)-[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: azepan-2-ylidene-(4-ethoxyphenyl)-[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: azepan-2-ylidene-(4-ethoxyphenyl)-[(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(4-ethoxyphenyl)-[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]ammonium IUPAC Name: azepan-2-ylidene-(4-ethoxyphenyl)-[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]azanium Traditional Name: azepan-2-ylidene-[(1R)-2-keto-1-methyl-2-p-phenetyl-ethyl]-p-phenetyl-ammonium Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-4-29-22-14-10-20(11-15-22)25(28)19(3)27(24-9-7-6-8-18-26-24)21-12-16-23(17-13-21)30-5-2/h10-17,19H,4-9,18H2,1-3H3/p+1/t19-/m1/s1