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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](COC)[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-16(15-26-2)23-13-18-14-25(19-6-4-3-5-7-19)24-22(18)17-8-9-20-21(12-17)28-11-10-27-20/h3-9,12,14,16,23H,10-11,13,15H2,1-2H3/p+1/t16-/m1/s1