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

Systemtic Name: (4-bromophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Openeye Name: (4-bromophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium CAS Name: (4-bromophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium IUPAC Name: (4-bromophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Traditional Name: (4-bromobenzyl)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium Formula: C16H17BrNO2+ MolecularWeight: 335.21568

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=CC=C(C=C3)Br

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrNO2/c17-13-7-5-12(6-8-13)9-18-10-14-11-19-15-3-1-2-4-16(15)20-14/h1-8,14,18H,9-11H2/p+1/t14-/m0/s1