2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H17N3O2/c1-17-10-12(9-16-17)8-15-7-11-2-3-13-14(6-11)19-5-4-18-13/h2-3,6,9-10,15H,4-5,7-8H2,1H3/p+1