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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2,4-dimethylphenyl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2,4-dimethylphenyl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2,4-dimethylphenyl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2,4-dimethylphenyl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,4-dimethylbenzyl)ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH2+]CC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH2+]C[C@H]2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C18H21NO2/c1-13-7-8-15(14(2)9-13)10-19-11-16-12-20-17-5-3-4-6-18(17)21-16/h3-9,16,19H,10-12H2,1-2H3/p+1/t16-/m0/s1