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

Systemtic Name: 2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(2,3-dimethylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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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(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H29N3O3/c1-17-7-9-20(10-8-17)24-22(27)15-25-11-13-26(14-12-25)23(28)16-29-21-6-4-5-18(2)19(21)3/h4-10H,11-16H2,1-3H3,(H,24,27)/p+1