N-(2,6-dimethylphenyl)-2-[1-(2-ethanoylphenoxy)-3-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[1-(2-ethanoylphenoxy)-3-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2-acetylphenoxy)-3-(2-hydroxy-3-phenoxy-propyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[1-(2-acetylphenoxy)-3-(2-hydroxy-3-phenoxypropyl)-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[1-(2-acetylphenoxy)-3-(2-hydroxy-3-phenoxypropyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[1-(2-acetylphenoxy)-3-(2-hydroxy-3-phenoxy-propyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C31H38N3O5+ MolecularWeight: 532.65052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[N+]2(CCNC(C2)CC(COC3=CC=CC=C3)O)OC4=CC=CC=C4C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[N+]2(CCNC(C2)CC(COC3=CC=CC=C3)O)OC4=CC=CC=C4C(=O)C

InChI

InChI=1S/C31H37N3O5/c1-22-10-9-11-23(2)31(22)33-30(37)20-34(39-29-15-8-7-14-28(29)24(3)35)17-16-32-25(19-34)18-26(36)21-38-27-12-5-4-6-13-27/h4-15,25-26,32,36H,16-21H2,1-3H3/p+1