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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromanyl-2-methoxy-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromo-2-methoxy-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromo-2-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5-bromo-2-methoxyphenyl)methyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-homopiperonyl-ammonium Formula: C17H19BrNO3+ MolecularWeight: 365.24166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18BrNO3/c1-20-15-5-3-14(18)9-13(15)10-19-7-6-12-2-4-16-17(8-12)22-11-21-16/h2-5,8-9,19H,6-7,10-11H2,1H3/p+1