2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]azanium Traditional Name: (4-bromobenzyl)-homopiperonyl-ammonium Formula: C16H17BrNO2+ MolecularWeight: 335.21568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC=C(C=C3)Br

InChI

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