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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-piperonyl-ammonium Formula: C18H21BrNO4+ MolecularWeight: 395.26764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C18H20BrNO4/c1-3-22-18-14(19)6-13(8-17(18)21-2)10-20-9-12-4-5-15-16(7-12)24-11-23-15/h4-8,20H,3,9-11H2,1-2H3/p+1