4-bromanyl-2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[(4-veratrylpiperazin-1-ium-1-yl)methyl]phenol Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)OC

InChI

InChI=1S/C20H25BrN2O3/c1-25-19-6-3-15(11-20(19)26-2)13-22-7-9-23(10-8-22)14-16-12-17(21)4-5-18(16)24/h3-6,11-12,24H,7-10,13-14H2,1-2H3/p+1