2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C21H33N3O3/c1-5-8-22-20(25)14-23-9-11-24(12-10-23)21(26)15-27-19-13-17(4)6-7-18(19)16(2)3/h6-7,13,16H,5,8-12,14-15H2,1-4H3,(H,22,25)/p+1