4-methyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,2,4-triazole Openeye Name: 4-methyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5-[(2R)-1-(2-thienylmethyl)pyrrolidin-1-ium-2-yl]-1,2,4-triazole CAS Name: 4-methyl-3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5-[(2R)-1-(thiophen-2-ylmethyl)-2-pyrrolidin-1-iumyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,2,4-triazole Traditional Name: 4-methyl-3-(2-pyrrolidin-1-ium-1-ylethylthio)-5-[(2R)-1-(2-thenyl)pyrrolidin-1-ium-2-yl]-1,2,4-triazole Formula: C18H29N5S2+2 MolecularWeight: 379.58636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCC2)C3CCC[NH+]3CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCC2)[C@H]3CCC[NH+]3CC4=CC=CS4

InChI

InChI=1S/C18H27N5S2/c1-21-17(16-7-4-10-23(16)14-15-6-5-12-24-15)19-20-18(21)25-13-11-22-8-2-3-9-22/h5-6,12,16H,2-4,7-11,13-14H2,1H3/p+2/t16-/m1/s1