1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-bromophenyl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-bromophenyl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-bromophenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-bromophenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-bromophenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-bromophenyl)ethyl]-piperonyl-ammonium Formula: C16H17BrNO2+ MolecularWeight: 335.21568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16BrNO2/c1-11(13-3-5-14(17)6-4-13)18-9-12-2-7-15-16(8-12)20-10-19-15/h2-8,11,18H,9-10H2,1H3/p+1/t11-/m0/s1