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

Systemtic Name: 4-methyl-2-pyridin-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-2-(2-pyridyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 4-methyl-2-(2-pyridinyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 4-methyl-2-pyridin-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-2-(2-pyridyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-5-carboxamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H24N4OS/c1-16-20(28-22(25-16)19-6-2-3-11-23-19)21(27)24-14-17-7-9-18(10-8-17)15-26-12-4-5-13-26/h2-3,6-11H,4-5,12-15H2,1H3,(H,24,27)/p+1