[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]CC4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]C[C@H]4CCCO4

InChI

InChI=1S/C21H23ClN4O3/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/h5-8,10,12,15,23H,2-4,9,11,13H2,1H3/p+1/t15-/m1/s1