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

Systemtic Name: cyclopropyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium Openeye Name: cyclopropyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: cyclopropyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]ammonium IUPAC Name: cyclopropyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl]azanium Traditional Name: [4-carbethoxy-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]methyl-cyclopropyl-ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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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+]C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)C[NH2+]C4CC4

InChI

InChI=1S/C18H21N3O4/c1-2-23-18(22)14-10-20-21(15(14)11-19-12-3-4-12)13-5-6-16-17(9-13)25-8-7-24-16/h5-6,9-10,12,19H,2-4,7-8,11H2,1H3/p+1