N-[(4-methylphenyl)methyl]-5-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-N-(4-methylbenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)C[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H22N4O2S/c1-12-2-4-13(5-3-12)10-18-16(23)17-20-19-15(24-17)11-21-8-6-14(22)7-9-21/h2-5,14,22H,6-11H2,1H3,(H,18,23)/p+1