2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)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)C3=CC(=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-4-19-7-5-6-8-21(19)24-22(27)16-25-9-11-26(12-10-25)23(28)20-14-17(2)13-18(3)15-20/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,24,27)/p+1