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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C21H23N3OS2/c1-15-19(27-21(23-15)18-5-4-12-26-18)20(25)22-13-16-6-8-17(9-7-16)14-24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,25)/p+1