azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(4-ethoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(4-ethoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-(4-ethoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(4-ethoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(4-ethoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-p-phenetyl-ammonium Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H28N2O4/c1-2-28-20-10-8-19(9-11-20)26(24-6-4-3-5-13-25-24)17-21(27)18-7-12-22-23(16-18)30-15-14-29-22/h7-12,16H,2-6,13-15,17H2,1H3/p+1