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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-veratryl-piperazine-1,4-diium Formula: C21H29BrN2O3+2 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3/c1-25-19-7-5-18(22)13-17(19)15-24-10-8-23(9-11-24)14-16-4-6-20(26-2)21(12-16)27-3/h4-7,12-13H,8-11,14-15H2,1-3H3/p+2