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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-octan-2-yl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-methylheptyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-octan-2-yl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-octan-2-yl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-methylheptyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-9-14(2)18-12-15-13-19-16-10-7-8-11-17(16)20-15/h7-8,10-11,14-15,18H,3-6,9,12-13H2,1-2H3/p+1/t14-,15-/m0/s1