[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium

Systemtic Name: [2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Openeye Name: [2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: [2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl-[(4S)-2,2-dimethyl-4-oxanyl]ammonium IUPAC Name: [2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Traditional Name: [2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolyl]methyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C26H33N2O3S+ MolecularWeight: 453.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=C(C=CC(=C4)OC)OC)C

Isomeric SMILES

CC1(C[C@H](CCO1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=C(C=CC(=C4)OC)OC)C

InChI

InChI=1S/C26H32N2O3S/c1-26(2)15-19(10-11-31-26)27-16-18-12-17-6-8-21(32-5)14-23(17)28-25(18)22-13-20(29-3)7-9-24(22)30-4/h6-9,12-14,19,27H,10-11,15-16H2,1-5H3/p+1/t19-/m0/s1