4-(2-methyl-1,3-thiazol-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(2-methyl-1,3-thiazol-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-methylthiazol-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-(2-methyl-4-thiazolyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-(2-methylthiazol-4-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CNC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NC(=CS1)C2=CNC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-15-24-20(14-27-15)18-10-19(22-12-18)21(26)23-11-16-4-6-17(7-5-16)13-25-8-2-3-9-25/h4-7,10,12,14,22H,2-3,8-9,11,13H2,1H3,(H,23,26)/p+1