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

Systemtic Name: N,N-bis(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N,N-bis(2-hydroxyethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N,N-bis(2-hydroxyethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N,N-bis(2-hydroxyethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N,N-bis(2-hydroxyethyl)-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N(CCO)CCO)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N(CCO)CCO)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5/c27-13-11-25(12-14-28)22(29)16-21-23(30)24-9-10-26(21)17-18-5-4-8-20(15-18)31-19-6-2-1-3-7-19/h1-8,15,21,27-28H,9-14,16-17H2,(H,24,30)/p+1/t21-/m1/s1