2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N4OS/c1-16-22-24(21(27)25(16)18-7-4-3-5-8-18)15-23-14-6-9-20(23)17-10-12-19(26-2)13-11-17/h3-5,7-8,10-13,20H,6,9,14-15H2,1-2H3/p+1/t20-/m1/s1