N-[4-methyl-5-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-5-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4-methyl-5-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4-methyl-5-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[5-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-4-methyl-2-thienyl]-2-furamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O4S/c1-15-13-17(22-20(27)16-5-4-12-29-16)30-19(15)21(28)25-10-8-23(9-11-25)14-18(26)24-6-2-3-7-24/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,22,27)/p+1