[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+](C)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+](C)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C22H25N3O3/c1-24(15-19(26)16-6-4-3-5-7-16)13-18-14-25(2)23-22(18)17-8-9-20-21(12-17)28-11-10-27-20/h3-9,12,14,19,26H,10-11,13,15H2,1-2H3/p+1/t19-/m0/s1