[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azanium

Systemtic Name: [2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azanium Openeye Name: (2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl-[(1S)-1-(2-methylthiazol-4-yl)ethyl]ammonium CAS Name: [2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl-[(1S)-1-(2-methyl-4-thiazolyl)ethyl]ammonium IUPAC Name: [2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azanium Traditional Name: [2-isobutoxy-7-(methylthio)-3-quinolyl]methyl-[(1S)-1-(2-methylthiazol-4-yl)ethyl]ammonium Formula: C21H28N3OS2+ MolecularWeight: 402.59652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(C)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

Isomeric SMILES

CC1=NC(=CS1)[C@H](C)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

InChI

InChI=1S/C21H27N3OS2/c1-13(2)11-25-21-17(10-22-14(3)20-12-27-15(4)23-20)8-16-6-7-18(26-5)9-19(16)24-21/h6-9,12-14,22H,10-11H2,1-5H3/p+1/t14-/m0/s1