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

Systemtic Name: (3S)-1-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C21H27N5OS/c27-20(22-17-6-2-1-3-7-17)16-5-4-12-24(13-16)14-25-21(28)26(18-10-11-18)19(23-25)15-8-9-15/h1-3,6-7,15-16,18H,4-5,8-14H2,(H,22,27)/p+1/t16-/m0/s1