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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-(2-thenoyl)isonipecotamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O3S/c26-20(17-5-7-25(8-6-17)21(27)18-2-1-13-29-18)23-15-16-3-4-19(22-14-16)24-9-11-28-12-10-24/h1-4,13-14,17H,5-12,15H2,(H,23,26)/p+1