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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

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