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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-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)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

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

InChI

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