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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

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