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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-methylbutyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-methylbutyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-3-6-11(2)15-9-12-10-16-13-7-4-5-8-14(13)17-12/h4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3/p+1/t11-,12-/m0/s1