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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-1-pyridin-4-ylpropyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-1-(4-pyridyl)propyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-1-pyridin-4-ylpropyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-1-pyridin-4-ylpropyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-1-(4-pyridyl)propyl]ammonium Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@@H](C1=CC=NC=C1)[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N4O2/c1-2-16(13-5-7-20-8-6-13)21-10-15-11-22-23-19(15)14-3-4-17-18(9-14)25-12-24-17/h3-9,11,16,21H,2,10,12H2,1H3,(H,22,23)/p+1/t16-/m0/s1