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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O2/c1-17(21-10-11-25-15-26-21)28(2)13-19-14-29(20-6-4-3-5-7-20)27-24(19)18-8-9-22-23(12-18)31-16-30-22/h3-12,14-15,17H,13,16H2,1-2H3/p+1/t17-/m0/s1