[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [7-chloro-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [7-chloro-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl-methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [7-chloro-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [7-chloro-2-keto-1-(2-pyridylmethyl)-3-quinolyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C22H23ClN5O+ MolecularWeight: 408.90392

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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)CC4=CC=CC=N4

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

InChI

InChI=1S/C22H22ClN5O/c1-26(11-12-27-10-4-9-25-27)15-18-13-17-6-7-19(23)14-21(17)28(22(18)29)16-20-5-2-3-8-24-20/h2-10,13-14H,11-12,15-16H2,1H3/p+1