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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-piperonyl-ammonium Formula: C24H25BrNO4+ MolecularWeight: 471.3636

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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=CC=C4

Isomeric SMILES

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

InChI

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