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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H27N3O3/c1-31-23-9-5-8-20(18-23)26-25(30)24(19-6-3-2-4-7-19)28-16-14-27(15-17-28)21-10-12-22(29)13-11-21/h2-13,18,24,29H,14-17H2,1H3,(H,26,30)/p+1/t24-/m0/s1