N-(1-ethylpiperidin-1-ium-4-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C17H28N3O3S2+ MolecularWeight: 386.55252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H27N3O3S2/c1-2-19-9-7-15(8-10-19)18-17(21)14-5-11-20(12-6-14)25(22,23)16-4-3-13-24-16/h3-4,13-15H,2,5-12H2,1H3,(H,18,21)/p+1