1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-cyclohexyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-cyclohexyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5OS/c22-19(27)16-11-13-24(14-12-16)15-25-21(28)26(18-9-5-2-6-10-18)20(23-25)17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H2,22,27)/p+1