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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3CC3

Isomeric SMILES

C[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3CC3

InChI

InChI=1S/C17H20ClN3OS/c1-21(10-16(22)19-13-4-5-13)9-12-7-11-3-6-14(23-2)8-15(11)20-17(12)18/h3,6-8,13H,4-5,9-10H2,1-2H3,(H,19,22)/p+1