(Z)-3-(3,4-dimethoxyphenyl)-3-[5-(4-oxidanylpiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile hydrochloride

Systemtic Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[5-(4-oxidanylpiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile hydrochloride Openeye Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxy-1-piperidyl)-2-thienyl]prop-2-enenitrile hydrochloride CAS Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxy-1-piperidinyl)-2-thiophenyl]-2-propenenitrile hydrochloride IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxypiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile hydrochloride Traditional Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxypiperidino)-2-thienyl]acrylonitrile hydrochloride Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC#N)C2=CC=C(S2)N3CCC(CC3)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C#N)/C2=CC=C(S2)N3CCC(CC3)O)OC.Cl

InChI

InChI=1S/C20H22N2O3S.ClH/c1-24-17-4-3-14(13-18(17)25-2)16(7-10-21)19-5-6-20(26-19)22-11-8-15(23)9-12-22;/h3-7,13,15,23H,8-9,11-12H2,1-2H3;1H/b16-7-;