[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(3-methylisoxazol-5-yl)methyl]ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[(3-methyl-5-isoxazolyl)methyl]ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-[(3-methylisoxazol-5-yl)methyl]ammonium Formula: C21H21ClN5O3+ MolecularWeight: 426.87614

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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(=NO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]CC4=CC(=NO4)C

InChI

InChI=1S/C21H20ClN5O3/c1-3-29-21(28)17-11-25-27(20(17)12-23-10-15-8-13(2)26-30-15)19-6-7-24-18-9-14(22)4-5-16(18)19/h4-9,11,23H,3,10,12H2,1-2H3/p+1