[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,6-dimethylheptan-4-yl)azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,6-dimethylheptan-4-yl)azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-isobutyl-3-methyl-butyl)ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,6-dimethylheptan-4-yl)ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,6-dimethylheptan-4-yl)azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-isobutyl-3-methyl-butyl)ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-13(2)9-15(10-14(3)4)19-11-16-12-20-17-7-5-6-8-18(17)21-16/h5-8,13-16,19H,9-12H2,1-4H3/p+1/t16-/m0/s1