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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H22ClN3OS2/c1-3-24(13-19(25)22-11-17-5-4-8-27-17)12-15-9-14-6-7-16(26-2)10-18(14)23-20(15)21/h4-10H,3,11-13H2,1-2H3,(H,22,25)/p+1