2-[4-[2-(2,5-dimethylphenyl)carbonylphenyl]carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2,5-dimethylphenyl)carbonylphenyl]carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2,5-dimethylbenzoyl)benzoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[[2-[(2,5-dimethylphenyl)-oxomethyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2,5-dimethylbenzoyl)benzoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-(2,5-dimethylbenzoyl)benzoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C30H34N3O3+ MolecularWeight: 484.60926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C30H33N3O3/c1-4-23-9-5-8-12-27(23)31-28(34)20-32-15-17-33(18-16-32)30(36)25-11-7-6-10-24(25)29(35)26-19-21(2)13-14-22(26)3/h5-14,19H,4,15-18,20H2,1-3H3,(H,31,34)/p+1