[2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methyl-[(3S)-oxolan-3-yl]azanium

Systemtic Name: [2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methyl-[(3S)-oxolan-3-yl]azanium Openeye Name: [2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-3-quinolyl]methyl-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: [2-[(2-chlorophenyl)methoxy]-7-(methylthio)-3-quinolinyl]methyl-[(3S)-3-oxolanyl]ammonium IUPAC Name: [2-[(2-chlorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methyl-[(3S)-oxolan-3-yl]azanium Traditional Name: [2-(2-chlorobenzyl)oxy-7-(methylthio)-3-quinolyl]methyl-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C22H24ClN2O2S+ MolecularWeight: 415.95616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C[NH2+]C3CCOC3)OCC4=CC=CC=C4Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C[NH2+][C@H]3CCOC3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN2O2S/c1-28-19-7-6-15-10-17(12-24-18-8-9-26-14-18)22(25-21(15)11-19)27-13-16-4-2-3-5-20(16)23/h2-7,10-11,18,24H,8-9,12-14H2,1H3/p+1/t18-/m0/s1