(3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1-ethyl-4-piperidin-1-iumyl)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-thenoyl)nipecotamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H27N3O2S/c1-2-20-10-7-15(8-11-20)19-17(22)14-5-3-9-21(13-14)18(23)16-6-4-12-24-16/h4,6,12,14-15H,2-3,5,7-11,13H2,1H3,(H,19,22)/p+1/t14-/m0/s1