(3R)-3-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(3-oxo-1-piperazinyl)ethyl]-4-[(3-phenoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(3-ketopiperazino)ethyl]-4-(3-phenoxybenzyl)piperazin-4-ium-2-one Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCNC(=O)C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCNC(=O)C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4/c28-21-16-27(12-9-24-21)22(29)14-20-23(30)25-10-11-26(20)15-17-5-4-8-19(13-17)31-18-6-2-1-3-7-18/h1-8,13,20H,9-12,14-16H2,(H,24,28)(H,25,30)/p+1/t20-/m1/s1