2-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C22H27N3O3/c1-17-6-8-19(9-7-17)23-21(26)15-24-10-12-25(13-11-24)22(27)16-28-20-5-3-4-18(2)14-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)/p+1