1,3-benzodioxol-5-ylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[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-piperonyl-ammonium Formula: C25H25N4O5+ MolecularWeight: 461.4898

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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+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O5/c1-3-32-25(31)18-13-27-29(20-11-24(30)28(2)19-7-5-4-6-17(19)20)21(18)14-26-12-16-8-9-22-23(10-16)34-15-33-22/h4-11,13,26H,3,12,14-15H2,1-2H3/p+1