[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C24H24ClN4O3+ MolecularWeight: 451.92536

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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[NH2+]CCC4=CC=C(C=C4)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]CCC4=CC=C(C=C4)O

InChI

InChI=1S/C24H23ClN4O3/c1-2-32-24(31)20-14-28-29(22-10-12-27-21-13-17(25)5-8-19(21)22)23(20)15-26-11-9-16-3-6-18(30)7-4-16/h3-8,10,12-14,26,30H,2,9,11,15H2,1H3/p+1