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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C18H25ClN3OS+ MolecularWeight: 366.9286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3OS/c1-5-22(11-17(23)20-12(2)3)10-14-8-13-6-7-15(24-4)9-16(13)21-18(14)19/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)/p+1