(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C17H23ClN3OS+ MolecularWeight: 352.90202

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC1=C(N=C2C=C(C=CC2=C1)SC)Cl

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC1=C(N=C2C=C(C=CC2=C1)SC)Cl

InChI

InChI=1S/C17H22ClN3OS/c1-4-7-19-16(22)11-21(2)10-13-8-12-5-6-14(23-3)9-15(12)20-17(13)18/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,19,22)/p+1