2-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[4-(4-tert-butylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C23H38N3O3+ MolecularWeight: 404.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H37N3O3/c1-5-12-24-21(27)18-25-13-15-26(16-14-25)22(28)7-6-17-29-20-10-8-19(9-11-20)23(2,3)4/h8-11H,5-7,12-18H2,1-4H3,(H,24,27)/p+1