(7-chloranyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl-methyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: (7-chloranyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl-methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: (7-chloro-2-oxo-1-phenethyl-3-quinolyl)methyl-methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: (7-chloro-2-oxo-1-phenethyl-3-quinolinyl)methyl-methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: (7-chloro-2-oxo-1-phenethylquinolin-3-yl)methyl-methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: (7-chloro-2-keto-1-phenethyl-3-quinolyl)methyl-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C24H26ClN4O+ MolecularWeight: 421.94244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O/c1-27(14-15-28-12-5-11-26-28)18-21-16-20-8-9-22(25)17-23(20)29(24(21)30)13-10-19-6-3-2-4-7-19/h2-9,11-12,16-17H,10,13-15,18H2,1H3/p+1