[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-[(1-methyl-2-imidazolyl)methyl]-propan-2-ylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-ylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C)CC4=NC=CN4C

Isomeric SMILES

CC(C)[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C)CC4=NC=CN4C

InChI

InChI=1S/C21H27N5O2/c1-15(2)26(14-20-22-7-8-24(20)3)13-17-12-25(4)23-21(17)16-5-6-18-19(11-16)28-10-9-27-18/h5-8,11-12,15H,9-10,13-14H2,1-4H3/p+1