N-tert-butyl-1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-tert-butyl-1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-tert-butyl-1-[[3-(4-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-tert-butyl-1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-tert-butyl-1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-tert-butyl-1-[[3-(4-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H29ClN5OS+ MolecularWeight: 422.99516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(C)(C)NC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H28ClN5OS/c1-20(2,3)22-18(27)15-9-11-25(12-10-15)13-26-19(28)24(4)17(23-26)14-5-7-16(21)8-6-14/h5-8,15H,9-13H2,1-4H3,(H,22,27)/p+1