N-(3-piperidin-1-ium-1-ylpropyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-piperidin-1-iumyl)propyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H29N3O3S2/c22-18(19-9-5-12-20-10-2-1-3-11-20)16-7-13-21(14-8-16)26(23,24)17-6-4-15-25-17/h4,6,15-16H,1-3,5,7-14H2,(H,19,22)/p+1