4-[(7-chloranylquinolin-4-yl)amino]-2-[(diethylazaniumyl)methyl]phenolate

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-[(diethylazaniumyl)methyl]phenolate Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(diethylammonio)methyl]phenolate CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylammonio)methyl]phenolate IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylazaniumyl)methyl]phenolate Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(diethylammonio)methyl]phenolate Formula: C20H22ClN3O MolecularWeight: 355.86118

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)[O-]

InChI

InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)