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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(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+]CC2COC3=CC=CC=C3O2

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C14H17N3O2/c1-17-9-11(7-16-17)6-15-8-12-10-18-13-4-2-3-5-14(13)19-12/h2-5,7,9,12,15H,6,8,10H2,1H3/p+1/t12-/m0/s1