N-(3,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O4/c1-26-17-12-16(13-18(14-17)27-2)22-21(25)15-23-8-10-24(11-9-23)19-6-4-5-7-20(19)28-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25)/p+1