azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-(2-keto-2-p-phenetyl-ethyl)ammonium Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O4/c1-2-27-19-10-7-17(8-11-19)20(26)15-25(23-6-4-3-5-13-24-23)18-9-12-21-22(14-18)29-16-28-21/h7-12,14H,2-6,13,15-16H2,1H3/p+1