4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[4-methyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]-N-phenyl-piperidine-1-carboxamide Formula: C21H31N6OS+ MolecularWeight: 415.57544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCC2)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCC2)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H30N6OS/c1-25-19(23-24-21(25)29-16-15-26-11-5-6-12-26)17-9-13-27(14-10-17)20(28)22-18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3,(H,22,28)/p+1