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

Systemtic Name: (3S)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-1-[oxo(thiophen-2-yl)methyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-thenoyl)nipecotamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-14(2)21-10-7-16(8-11-21)20-18(23)15-5-3-9-22(13-15)19(24)17-6-4-12-25-17/h4,6,12,14-16H,3,5,7-11,13H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1