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

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-(1-carbethoxy-4-piperidyl)ammonium Formula: C24H29ClN5O4+ MolecularWeight: 486.97116

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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+]C4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]C4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C24H28ClN5O4/c1-3-33-23(31)19-14-28-30(21-7-10-26-20-13-16(25)5-6-18(20)21)22(19)15-27-17-8-11-29(12-9-17)24(32)34-4-2/h5-7,10,13-14,17,27H,3-4,8-9,11-12,15H2,1-2H3/p+1