4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H22N4OS/c1-3-18-11-17-20(16(18)22)12-19-10-4-5-15(19)13-6-8-14(21-2)9-7-13/h6-9,11,15H,3-5,10,12H2,1-2H3/p+1/t15-/m0/s1