2-(1-butyl-1,4-dimethyl-5-thiophen-2-ylcarbonyl-pyrrol-1-ium-2-yl)ethanamide

Systemtic Name: 2-(1-butyl-1,4-dimethyl-5-thiophen-2-ylcarbonyl-pyrrol-1-ium-2-yl)ethanamide Openeye Name: 2-[1-butyl-1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[1-butyl-1,4-dimethyl-5-[oxo(thiophen-2-yl)methyl]-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[1-butyl-1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[1-butyl-1,4-dimethyl-5-(2-thenoyl)pyrrol-1-ium-2-yl]acetamide Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=CC(=C1C(=O)C2=CC=CS2)C)CC(=O)N)C

Isomeric SMILES

CCCC[N+]1(C(=CC(=C1C(=O)C2=CC=CS2)C)CC(=O)N)C

InChI

InChI=1S/C17H22N2O2S/c1-4-5-8-19(3)13(11-15(18)20)10-12(2)16(19)17(21)14-7-6-9-22-14/h6-7,9-10H,4-5,8,11H2,1-3H3,(H-,18,20)/p+1