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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromanyl-2-methoxy-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromo-2-methoxy-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromo-2-methoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromo-2-methoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-homopiperonyl-(3-pyridylmethyl)ammonium Formula: C23H24BrN2O3+ MolecularWeight: 456.35226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C23H23BrN2O3/c1-27-21-7-5-20(24)12-19(21)15-26(14-18-3-2-9-25-13-18)10-8-17-4-6-22-23(11-17)29-16-28-22/h2-7,9,11-13H,8,10,14-16H2,1H3/p+1