3-[4-methyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C19H27N5OS/c1-22-18(8-7-17(20)25)21-24(19(22)26)14-23-11-9-16(10-12-23)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H2,20,25)/p+1