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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C25H27BrNO4+ MolecularWeight: 485.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Br)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Br)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C25H26BrNO4/c1-3-28-24-12-20(14-27-13-19-8-9-22-23(11-19)31-16-30-22)10-21(26)25(24)29-15-18-6-4-17(2)5-7-18/h4-12,27H,3,13-16H2,1-2H3/p+1