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

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-[3-(2-ketopyrrolidino)propyl]ammonium Formula: C23H27ClN5O3+ MolecularWeight: 456.94518

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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+]CCCN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]CCCN4CCCC4=O

InChI

InChI=1S/C23H26ClN5O3/c1-2-32-23(31)18-14-27-29(20-8-10-26-19-13-16(24)6-7-17(19)20)21(18)15-25-9-4-12-28-11-3-5-22(28)30/h6-8,10,13-14,25H,2-5,9,11-12,15H2,1H3/p+1