[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-bis(2-hydroxyethyl)azanium

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH+](CCO)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH+](CCO)CCO

InChI

InChI=1S/C20H23ClN4O4/c1-2-29-20(28)16-12-23-25(19(16)13-24(7-9-26)8-10-27)18-5-6-22-17-11-14(21)3-4-15(17)18/h3-6,11-12,26-27H,2,7-10,13H2,1H3/p+1