[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(4-carbomethoxybenzyl)ammonium Formula: C26H24N3O4+ MolecularWeight: 442.48646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4/c1-31-26(30)19-9-7-18(8-10-19)14-27-15-21-16-29(22-5-3-2-4-6-22)28-25(21)20-11-12-23-24(13-20)33-17-32-23/h2-13,16,27H,14-15,17H2,1H3/p+1