4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiadiazole-5-carboxamide Traditional Name: 4-methyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiadiazole-5-carboxamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-13-16(23-20-19-13)17(22)18-11-14-7-3-4-8-15(14)12-21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,22)/p+1