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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-(methylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-[2-(methylamino)-2-oxo-ethyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-[2-(methylamino)-2-oxoethyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-keto-2-(methylamino)ethyl]ammonium Formula: C14H17ClN3OS+ MolecularWeight: 310.82228

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH2+]CC1=C(N=C2C=C(C=CC2=C1)SC)Cl

Isomeric SMILES

CNC(=O)C[NH2+]CC1=C(N=C2C=C(C=CC2=C1)SC)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-16-13(19)8-17-7-10-5-9-3-4-11(20-2)6-12(9)18-14(10)15/h3-6,17H,7-8H2,1-2H3,(H,16,19)/p+1