[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]azanium

Systemtic Name: [2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]azanium Openeye Name: [2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ammonium CAS Name: [2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]ammonium IUPAC Name: [2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]azanium Traditional Name: [2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolyl]methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ammonium Formula: C26H34N3O2S+ MolecularWeight: 452.63206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCN1CCC[C@H]1C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H33N3O2S/c1-5-29-12-6-7-20(29)17-27-16-19-13-18-8-10-22(32-4)15-24(18)28-26(19)23-14-21(30-2)9-11-25(23)31-3/h8-11,13-15,20,27H,5-7,12,16-17H2,1-4H3/p+1/t20-/m0/s1