2-[2-methoxy-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name: 2-[2-methoxy-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide Openeye Name: 2-[2-methoxy-4-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide CAS Name: 2-[2-methoxy-4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenoxy]acetamide IUPAC Name: 2-[2-methoxy-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[2-methoxy-4-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC(=O)N)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC(=O)N)OC

InChI

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