(1,5-dimethylpyrazol-4-yl)methyl-[[1-(2-methylpropyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl]azanium

Systemtic Name: (1,5-dimethylpyrazol-4-yl)methyl-[[1-(2-methylpropyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl]azanium Openeye Name: (1,5-dimethylpyrazol-4-yl)methyl-[(1-isobutyl-7-methylsulfanyl-2-oxo-3-quinolyl)methyl]ammonium CAS Name: (1,5-dimethyl-4-pyrazolyl)methyl-[[1-(2-methylpropyl)-7-(methylthio)-2-oxo-3-quinolinyl]methyl]ammonium IUPAC Name: (1,5-dimethylpyrazol-4-yl)methyl-[[1-(2-methylpropyl)-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: (1,5-dimethylpyrazol-4-yl)methyl-[[1-isobutyl-2-keto-7-(methylthio)-3-quinolyl]methyl]ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH2+]CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(C)C

Isomeric SMILES

CC1=C(C=NN1C)C[NH2+]CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(C)C

InChI

InChI=1S/C21H28N4OS/c1-14(2)13-25-20-9-19(27-5)7-6-16(20)8-17(21(25)26)10-22-11-18-12-23-24(4)15(18)3/h6-9,12,14,22H,10-11,13H2,1-5H3/p+1