[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C23H30ClN5O3+2 MolecularWeight: 459.969

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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+]CCC[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH2+]CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H28ClN5O3/c1-2-32-23(30)19-15-27-29(21-6-8-26-20-14-17(24)4-5-18(20)21)22(19)16-25-7-3-9-28-10-12-31-13-11-28/h4-6,8,14-15,25H,2-3,7,9-13,16H2,1H3/p+2