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

Systemtic Name: 1-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-pentyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-amyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H29N5OS/c1-2-3-7-12-24-15-21-25(20(24)27)16-23-13-10-17(11-14-23)19(26)22-18-8-5-4-6-9-18/h4-6,8-9,15,17H,2-3,7,10-14,16H2,1H3,(H,22,26)/p+1