2-[4-(4-butoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-butoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(4-butoxybenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(4-butoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(4-butoxybenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(4-butoxybenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3CC

InChI

InChI=1S/C25H33N3O3/c1-3-5-18-31-22-12-10-21(11-13-22)25(30)28-16-14-27(15-17-28)19-24(29)26-23-9-7-6-8-20(23)4-2/h6-13H,3-5,14-19H2,1-2H3,(H,26,29)/p+1