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

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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