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

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-methyl-(4-thiazolylmethyl)ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium Formula: C21H21ClN5O2S+ MolecularWeight: 442.94174

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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[NH+](C)CC4=CSC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)C[NH+](C)CC4=CSC=N4

InChI

InChI=1S/C21H20ClN5O2S/c1-3-29-21(28)17-9-25-27(20(17)11-26(2)10-15-12-30-13-24-15)19-6-7-23-18-8-14(22)4-5-16(18)19/h4-9,12-13H,3,10-11H2,1-2H3/p+1