1-(3-methoxyphenyl)-4-[2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one

Systemtic Name: 1-(3-methoxyphenyl)-4-[2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one Openeye Name: 1-(3-methoxyphenyl)-4-[2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetyl]piperazin-2-one CAS Name: 1-(3-methoxyphenyl)-4-[1-oxo-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]ethyl]-2-piperazinone IUPAC Name: 1-(3-methoxyphenyl)-4-[2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetyl]piperazin-2-one Traditional Name: 4-[2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2=O)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2=O)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-33-21-9-5-8-20(16-21)29-15-14-28(18-24(29)31)23(30)17-22-25(32)26-11-13-27(22)12-10-19-6-3-2-4-7-19/h2-9,16,22H,10-15,17-18H2,1H3,(H,26,32)/p+1/t22-/m1/s1