2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O2/c1-16-20(17(2)25(24-16)15-18-6-4-3-5-7-18)14-23-13-19-8-9-21-22(12-19)27-11-10-26-21/h3-9,12,23H,10-11,13-15H2,1-2H3/p+1