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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2/c1-2-6-16(7-3-1)22-13-15(11-21-22)10-20-12-17-14-23-18-8-4-5-9-19(18)24-17/h1-9,11,13,17,20H,10,12,14H2/p+1/t17-/m0/s1