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

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-4-13(3)10-14(5-2)18-11-15-12-19-16-8-6-7-9-17(16)20-15/h6-9,13-15,18H,4-5,10-12H2,1-3H3/p+1/t13-,14-,15+/m0/s1