[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxo-3-quinolyl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-(methylthio)-2-oxo-3-quinolinyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-keto-7-(methylthio)-3-quinolyl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C27H27ClN3O3S+ MolecularWeight: 509.03958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C27H26ClN3O3S/c1-30(10-8-21-5-3-4-9-29-21)15-20-11-18-6-7-22(35-2)13-24(18)31(27(20)32)16-19-12-25-26(14-23(19)28)34-17-33-25/h3-7,9,11-14H,8,10,15-17H2,1-2H3/p+1