N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]-1-(2-thenoyl)isonipecotamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O2S/c26-20(17-7-11-25(12-8-17)21(27)18-4-3-13-28-18)23-15-16-5-6-19(22-14-16)24-9-1-2-10-24/h3-6,13-14,17H,1-2,7-12,15H2,(H,23,26)/p+1