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

Systemtic Name: (3R)-3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-4-[(3-phenoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-acetylpiperazino)-2-keto-ethyl]-4-(3-phenoxybenzyl)piperazin-4-ium-2-one Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-19(30)27-12-14-28(15-13-27)24(31)17-23-25(32)26-10-11-29(23)18-20-6-5-9-22(16-20)33-21-7-3-2-4-8-21/h2-9,16,23H,10-15,17-18H2,1H3,(H,26,32)/p+1/t23-/m1/s1