[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]ammonium Formula: C24H23N4O2+ MolecularWeight: 399.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2/c1-2-8-20(9-3-1)28-16-19(24(27-28)18-7-6-12-25-13-18)14-26-15-21-17-29-22-10-4-5-11-23(22)30-21/h1-13,16,21,26H,14-15,17H2/p+1/t21-/m0/s1