1,3-benzodioxol-5-ylmethyl-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C23H23BrNO3+ MolecularWeight: 441.33762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22BrNO3/c1-16-2-4-17(5-3-16)14-26-21-9-7-20(24)11-19(21)13-25-12-18-6-8-22-23(10-18)28-15-27-22/h2-11,25H,12-15H2,1H3/p+1