N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C20H21N4O2S2+ MolecularWeight: 413.53634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O2S2/c25-18(23-20-22-16(13-28-20)12-24-8-1-2-9-24)14-5-3-6-15(11-14)21-19(26)17-7-4-10-27-17/h3-7,10-11,13H,1-2,8-9,12H2,(H,21,26)(H,22,23,25)/p+1