1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-veratryl-piperazin-4-ium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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