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

Systemtic Name: 5-(5-methylthiophen-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-(5-methyl-2-thienyl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-1H-pyrazole-3-carboxamide CAS Name: 5-(5-methyl-2-thiophenyl)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(5-methylthiophen-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-(5-methyl-2-thienyl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-1H-pyrazole-3-carboxamide Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NN2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

InChI

InChI=1S/C18H21N5OS2/c1-12-5-6-16(26-12)14-9-15(22-21-14)17(24)20-18-19-13(11-25-18)10-23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,21,22)(H,19,20,24)/p+1