cyclohexylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium

Systemtic Name: cyclohexylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium Openeye Name: cyclohexylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl]ammonium CAS Name: cyclohexylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl]ammonium IUPAC Name: cyclohexylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazol-3-yl]methyl]azanium Traditional Name: [4-carbethoxy-2-(2-keto-1-methyl-4-quinolyl)pyrazol-3-yl]methyl-(cyclohexylmethyl)ammonium Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+]CC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+]CC4CCCCC4

InChI

InChI=1S/C24H30N4O3/c1-3-31-24(30)19-15-26-28(22(19)16-25-14-17-9-5-4-6-10-17)21-13-23(29)27(2)20-12-8-7-11-18(20)21/h7-8,11-13,15,17,25H,3-6,9-10,14,16H2,1-2H3/p+1