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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[3-(3-pyridyloxy)propyl]ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCCOC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCCOC4=CN=CC=C4

InChI

InChI=1S/C21H24N4O3/c1-25-15-17(13-22-8-3-9-26-18-4-2-7-23-14-18)21(24-25)16-5-6-19-20(12-16)28-11-10-27-19/h2,4-7,12,14-15,22H,3,8-11,13H2,1H3/p+1