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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]CC2COC3=CC=CC=C3O2

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]C[C@H]2COC3=CC=CC=C3O2

InChI

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