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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2-methylpropyl)azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-isobutyl-ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2-methylpropyl)ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2-methylpropyl)azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-isobutyl-ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1COC2=CC=CC=C2O1

Isomeric SMILES

CC(C)C[NH2+]C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H19NO2/c1-10(2)7-14-8-11-9-15-12-5-3-4-6-13(12)16-11/h3-6,10-11,14H,7-9H2,1-2H3/p+1/t11-/m0/s1