2-[4-[3-(4-tert-butylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-tert-butylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-tert-butylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[3-(4-tert-butylphenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-tert-butylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[3-(4-tert-butylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H37N3O3/c1-20-7-6-8-21(2)26(20)28-24(31)19-29-14-16-30(17-15-29)25(32)13-18-33-23-11-9-22(10-12-23)27(3,4)5/h6-12H,13-19H2,1-5H3,(H,28,31)/p+1