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

Systemtic Name: [2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: [2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: [2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C22H23ClN5O2S+ MolecularWeight: 456.96832

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O2S/c1-4-30-22(29)18-10-25-28(20-7-8-24-19-9-15(23)5-6-17(19)20)21(18)12-27(3)11-16-13-31-14(2)26-16/h5-10,13H,4,11-12H2,1-3H3/p+1