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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(o-tolyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(o-tolyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O2/c1-3-19-9-6-7-11-21(19)24-22(27)17-25-12-14-26(15-13-25)23(28)16-20-10-5-4-8-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,24,27)/p+1