(2R)-N-cyclohexyl-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide

Systemtic Name: (2R)-N-cyclohexyl-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide Openeye Name: (2R)-N-cyclohexyl-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide CAS Name: (2R)-N-cyclohexyl-2-[4-methyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-1-pyrrolidinecarboxamide IUPAC Name: (2R)-N-cyclohexyl-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide Traditional Name: (2R)-N-cyclohexyl-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide Formula: C20H35N6OS+ MolecularWeight: 407.5965

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCC2)C3CCCN3C(=O)NC4CCCCC4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCC2)[C@H]3CCCN3C(=O)NC4CCCCC4

InChI

InChI=1S/C20H34N6OS/c1-24-18(22-23-20(24)28-15-14-25-11-5-6-12-25)17-10-7-13-26(17)19(27)21-16-8-3-2-4-9-16/h16-17H,2-15H2,1H3,(H,21,27)/p+1/t17-/m1/s1