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

Systemtic Name: N-phenyl-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenyl-1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(22-18-9-5-2-6-10-18)17-11-13-25(14-12-17)15-26-21(28)23-19(24-26)16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H,22,27)(H,23,24,28)/p+1