6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(homoveratrylamino)-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-7-5-15(12-19(18)27-2)9-10-22-20-8-6-16(13-23-20)21(25)24-14-17-4-3-11-28-17/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,23)(H,24,25)/p+1