N-ethyl-N-(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-ethyl-N-(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-ethyl-N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-ethyl-N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-ethyl-N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-ethyl-N-(2-hydroxyethyl)-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCN(CCO)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-2-25(13-14-27)22(28)16-21-23(29)24-11-12-26(21)17-18-7-6-10-20(15-18)30-19-8-4-3-5-9-19/h3-10,15,21,27H,2,11-14,16-17H2,1H3,(H,24,29)/p+1/t21-/m1/s1