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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-o-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)C[NH+]2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC)Br

Isomeric SMILES

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

InChI

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