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

Systemtic Name: 3-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: 3-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: 3-methyl-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: 3-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=C(SC=C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=C(SC=C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

InChI

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