N-(2,4-dimethoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-(4-m-anisylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-27-18-6-4-5-17(13-18)15-24-9-11-25(12-10-24)16-22(26)23-20-8-7-19(28-2)14-21(20)29-3/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)/p+1