N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-1-(2-thenoyl)isonipecotamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H31N3O2S/c28-23(21-10-14-27(15-11-21)24(29)22-5-4-16-30-22)25-17-19-6-8-20(9-7-19)18-26-12-2-1-3-13-26/h4-9,16,21H,1-3,10-15,17-18H2,(H,25,28)/p+1