(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C23H25ClN3O3S+ MolecularWeight: 458.9809

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H24ClN3O3S/c1-3-27(13-16-10-15-4-6-18(31-2)12-19(15)26-23(16)24)14-22(28)25-17-5-7-20-21(11-17)30-9-8-29-20/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,25,28)/p+1