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

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium Openeye Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl]ammonium IUPAC Name: [(4S)-2,2-dimethyloxan-4-yl]-[[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-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C24H31N4O4+ MolecularWeight: 439.52734

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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+]C4CCOC(C4)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+][C@H]4CCOC(C4)(C)C

InChI

InChI=1S/C24H30N4O4/c1-5-31-23(30)18-14-26-28(21(18)15-25-16-10-11-32-24(2,3)13-16)20-12-22(29)27(4)19-9-7-6-8-17(19)20/h6-9,12,14,16,25H,5,10-11,13,15H2,1-4H3/p+1/t16-/m0/s1