[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)[NH+](C)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)[NH+](C)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N5O2/c1-12(15-5-6-19-10-20-15)23(2)9-14-8-21-22-18(14)13-3-4-16-17(7-13)25-11-24-16/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)/p+1/t12-/m0/s1