[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-12(2)8-9-13(3)17-10-14-11-18-15-6-4-5-7-16(15)19-14/h4-7,12-14,17H,8-11H2,1-3H3/p+1/t13-,14-/m0/s1