2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-keto-2-(4-veratrylpiperazin-4-ium-1-yl)ethoxy]benzamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N)OC

InChI

InChI=1S/C22H27N3O5/c1-28-19-8-7-16(13-20(19)29-2)14-24-9-11-25(12-10-24)21(26)15-30-18-6-4-3-5-17(18)22(23)27/h3-8,13H,9-12,14-15H2,1-2H3,(H2,23,27)/p+1