[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(2-furylmethyl)ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-(2-furfuryl)ammonium Formula: C21H20ClN4O3+ MolecularWeight: 411.8615

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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+]CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]CC4=CC=CO4

InChI

InChI=1S/C21H19ClN4O3/c1-2-28-21(27)17-12-25-26(20(17)13-23-11-15-4-3-9-29-15)19-7-8-24-18-10-14(22)5-6-16(18)19/h3-10,12,23H,2,11,13H2,1H3/p+1