4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(3-thienyl)thiazole-5-carboxamide CAS Name: 4-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(3-thiophenyl)-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(3-thienyl)thiazole-5-carboxamide Formula: C21H24N3OS2+ MolecularWeight: 398.56476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C21H23N3OS2/c1-15-19(27-21(23-15)18-8-11-26-14-18)20(25)22-12-16-6-2-3-7-17(16)13-24-9-4-5-10-24/h2-3,6-8,11,14H,4-5,9-10,12-13H2,1H3,(H,22,25)/p+1