N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C)C(C)(C)C

InChI

InChI=1S/C26H37N3O2/c1-19-16-21(26(3,4)5)17-20(2)24(19)10-11-27-25(31)18-28-12-14-29(15-13-28)22-6-8-23(30)9-7-22/h6-9,16-17,30H,10-15,18H2,1-5H3,(H,27,31)/p+1