azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2,5-dimethoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2,5-dimethoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-(2,5-dimethoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2,5-dimethoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2,5-dimethoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-(2,5-dimethoxyphenyl)ammonium Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H28N2O5/c1-28-18-8-10-21(29-2)19(15-18)26(24-6-4-3-5-11-25-24)16-20(27)17-7-9-22-23(14-17)31-13-12-30-22/h7-10,14-15H,3-6,11-13,16H2,1-2H3/p+1