N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(3-thienyl)thiazole-4-carboxamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(3-thiophenyl)-4-thiazolecarboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(3-thienyl)thiazole-4-carboxamide Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H21N3OS2/c24-19(18-14-26-20(22-18)17-7-10-25-13-17)21-11-15-5-1-2-6-16(15)12-23-8-3-4-9-23/h1-2,5-7,10,13-14H,3-4,8-9,11-12H2,(H,21,24)/p+1