2-[4-(4-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H33N3O2/c1-4-5-9-21-10-12-22(13-11-21)25(30)28-16-14-27(15-17-28)18-23(29)26-24-19(2)7-6-8-20(24)3/h6-8,10-13H,4-5,9,14-18H2,1-3H3,(H,26,29)/p+1