2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[4-(3-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H27N3O3/c1-19-3-2-4-24(17-19)31-23-11-5-20(6-12-23)26-25(30)18-27-13-15-28(16-14-27)21-7-9-22(29)10-8-21/h2-12,17,29H,13-16,18H2,1H3,(H,26,30)/p+1