N-cyclopropyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

InChI

InChI=1S/C19H25N5OS/c1-26-17-6-2-14(3-7-17)12-23-10-8-16(9-11-23)24-13-18(21-22-24)19(25)20-15-4-5-15/h2-3,6-7,13,15-16H,4-5,8-12H2,1H3,(H,20,25)/p+1