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

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=S)N(C(=N3)C4=CC=CC=C4)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=S)N(C(=N3)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C23H26N4OS/c1-3-15-26-22(19-8-5-4-6-9-19)24-27(23(26)29)17-25-16-7-10-21(25)18-11-13-20(28-2)14-12-18/h3-6,8-9,11-14,21H,1,7,10,15-17H2,2H3/p+1/t21-/m1/s1