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

Systemtic Name: (2S)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C18H27N3O2S/c1-13(2)20-10-7-14(8-11-20)19-17(22)15-5-3-9-21(15)18(23)16-6-4-12-24-16/h4,6,12-15H,3,5,7-11H2,1-2H3,(H,19,22)/p+1/t15-/m0/s1