(E)-1-(azepan-1-yl)-3-(4,5-dimethoxypyridin-2-yl)prop-2-en-1-one hydrochloride

Systemtic Name: (E)-1-(azepan-1-yl)-3-(4,5-dimethoxypyridin-2-yl)prop-2-en-1-one hydrochloride Openeye Name: (E)-1-(azepan-1-yl)-3-(4,5-dimethoxy-2-pyridyl)prop-2-en-1-one hydrochloride CAS Name: (E)-1-(1-azepanyl)-3-(4,5-dimethoxy-2-pyridinyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-1-(azepan-1-yl)-3-(4,5-dimethoxypyridin-2-yl)prop-2-en-1-one hydrochloride Traditional Name: (E)-1-(azepan-1-yl)-3-(4,5-dimethoxy-2-pyridyl)prop-2-en-1-one hydrochloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1OC)C=CC(=O)N2CCCCCC2.Cl

Isomeric SMILES

COC1=CC(=NC=C1OC)/C=C/C(=O)N2CCCCCC2.Cl

InChI

InChI=1S/C16H22N2O3.ClH/c1-20-14-11-13(17-12-15(14)21-2)7-8-16(19)18-9-5-3-4-6-10-18;/h7-8,11-12H,3-6,9-10H2,1-2H3;1H/b8-7+;