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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C24H25BrNO4+ MolecularWeight: 471.3636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C24H24BrNO4/c1-16-3-5-17(6-4-16)14-28-24-20(25)9-19(11-23(24)27-2)13-26-12-18-7-8-21-22(10-18)30-15-29-21/h3-11,26H,12-15H2,1-2H3/p+1