5-methyl-1-(4-methylphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-1-(4-methylphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 5-methyl-1-(4-methylphenyl)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-(4-methylphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-1-(p-tolyl)pyrazole-4-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C21H25N5OS/c1-15-6-8-18(9-7-15)26-16(2)19(12-22-26)20(27)24-21-23-17(14-28-21)13-25-10-4-3-5-11-25/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,24,27)/p+1