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

Systemtic Name: [2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methyl-[(3-methyloxetan-3-yl)methyl]azanium Openeye Name: [2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-3-quinolyl]methyl-[(3-methyloxetan-3-yl)methyl]ammonium CAS Name: [2-[(2-chlorophenyl)methoxy]-7-(methylthio)-3-quinolinyl]methyl-[(3-methyl-3-oxetanyl)methyl]ammonium IUPAC Name: [2-[(2-chlorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methyl-[(3-methyloxetan-3-yl)methyl]azanium Traditional Name: [2-(2-chlorobenzyl)oxy-7-(methylthio)-3-quinolyl]methyl-[(3-methyloxetan-3-yl)methyl]ammonium Formula: C23H26ClN2O2S+ MolecularWeight: 429.98274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC4=CC=CC=C4Cl

Isomeric SMILES

CC1(COC1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN2O2S/c1-23(14-27-15-23)13-25-11-18-9-16-7-8-19(29-2)10-21(16)26-22(18)28-12-17-5-3-4-6-20(17)24/h3-10,25H,11-15H2,1-2H3/p+1