[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]methyl-(3-pyridylmethyl)ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O4/c1-2-27-21(26)17-13-24-25(16-5-6-19-20(10-16)29-9-8-28-19)18(17)14-23-12-15-4-3-7-22-11-15/h3-7,10-11,13,23H,2,8-9,12,14H2,1H3/p+1