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

Systemtic Name: N-(phenylmethyl)-1-[(2-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(phenylmethyl)-1-[(2-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=S)N=CN3C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=S)N=CN3C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(23-15-18-7-3-1-4-8-18)19-11-13-25(14-12-19)17-27-22(29)24-16-26(27)20-9-5-2-6-10-20/h1-10,16,19H,11-15,17H2,(H,23,28)/p+1