1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-piperonyl-piperazine-1,4-diium Formula: C20H25BrN2O3+2 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23BrN2O3/c1-24-18-5-3-17(21)11-16(18)13-23-8-6-22(7-9-23)12-15-2-4-19-20(10-15)26-14-25-19/h2-5,10-11H,6-9,12-14H2,1H3/p+2