(E)-3-[3-(azepan-1-yl)-4,5-dimethoxy-pyridin-2-yl]prop-2-enal hydrochloride

Systemtic Name: (E)-3-[3-(azepan-1-yl)-4,5-dimethoxy-pyridin-2-yl]prop-2-enal hydrochloride Openeye Name: (E)-3-[3-(azepan-1-yl)-4,5-dimethoxy-2-pyridyl]prop-2-enal hydrochloride CAS Name: (E)-3-[3-(1-azepanyl)-4,5-dimethoxy-2-pyridinyl]-2-propenal hydrochloride IUPAC Name: (E)-3-[3-(azepan-1-yl)-4,5-dimethoxypyridin-2-yl]prop-2-enal hydrochloride Traditional Name: (E)-3-[3-(azepan-1-yl)-4,5-dimethoxy-2-pyridyl]acrolein hydrochloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CN=C(C(=C1OC)N2CCCCCC2)/C=C/C=O.Cl

InChI

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