2-[2-methoxy-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name: 2-[2-methoxy-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide Openeye Name: 2-[2-methoxy-4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide CAS Name: 2-[2-methoxy-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenoxy]acetamide IUPAC Name: 2-[2-methoxy-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[2-methoxy-4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC(=O)N)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC(=O)N)OC

InChI

InChI=1S/C22H27N3O4/c1-16-5-3-4-6-18(16)14-24-9-11-25(12-10-24)22(27)17-7-8-19(20(13-17)28-2)29-15-21(23)26/h3-8,13H,9-12,14-15H2,1-2H3,(H2,23,26)/p+1