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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-piperonyl-ammonium Formula: C23H23BrNO4+ MolecularWeight: 457.33702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22BrNO4/c1-26-22-11-19(24)10-18(23(22)27-14-16-5-3-2-4-6-16)13-25-12-17-7-8-20-21(9-17)29-15-28-20/h2-11,25H,12-15H2,1H3/p+1