5-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: 5-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: 5-methyl-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: 5-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C20H22N4OS/c1-15-8-9-18(26-15)20(25)23-14-16-6-5-12-22-19(16)24(2)13-10-17-7-3-4-11-21-17/h3-9,11-12H,10,13-14H2,1-2H3,(H,23,25)/p+1