N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylamino)-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylamino)-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylamino)-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylamino)-6-(4-methyl-2-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylamino)-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(dimethylamino)-N-homoveratryl-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N(C)C

Isomeric SMILES

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N(C)C

InChI

InChI=1S/C23H27N3O3S/c1-15-12-21(30-14-15)18-8-7-17(22(25-18)26(2)3)23(27)24-11-10-16-6-9-19(28-4)20(13-16)29-5/h6-9,12-14H,10-11H2,1-5H3,(H,24,27)/p+1