4-[2-(2,3-dimethoxyphenyl)ethyl]-1-(1-phenylpropan-2-yl)-1-prop-2-enyl-piperazin-1-ium bromide

Systemtic Name: 4-[2-(2,3-dimethoxyphenyl)ethyl]-1-(1-phenylpropan-2-yl)-1-prop-2-enyl-piperazin-1-ium bromide Openeye Name: 1-allyl-4-[2-(2,3-dimethoxyphenyl)ethyl]-1-(1-methyl-2-phenyl-ethyl)piperazin-1-ium bromide CAS Name: 4-[2-(2,3-dimethoxyphenyl)ethyl]-1-(1-phenylpropan-2-yl)-1-prop-2-enylpiperazin-1-ium bromide IUPAC Name: 4-[2-(2,3-dimethoxyphenyl)ethyl]-1-(1-phenylpropan-2-yl)-1-prop-2-enylpiperazin-1-ium bromide Traditional Name: 1-allyl-4-[2-(2,3-dimethoxyphenyl)ethyl]-1-(1-methyl-2-phenyl-ethyl)piperazin-1-ium bromide Formula: C26H37BrN2O2 MolecularWeight: 489.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2(CCN(CC2)CCC3=C(C(=CC=C3)OC)OC)CC=C.[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2(CCN(CC2)CCC3=C(C(=CC=C3)OC)OC)CC=C.[Br-]

InChI

InChI=1S/C26H37N2O2.BrH/c1-5-18-28(22(2)21-23-10-7-6-8-11-23)19-16-27(17-20-28)15-14-24-12-9-13-25(29-3)26(24)30-4;/h5-13,22H,1,14-21H2,2-4H3;1H/q+1;/p-1