1-(3,5-dimethylphenyl)-4-[2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one

Systemtic Name: 1-(3,5-dimethylphenyl)-4-[2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one Openeye Name: 1-(3,5-dimethylphenyl)-4-[2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazin-2-one CAS Name: 1-(3,5-dimethylphenyl)-4-[1-oxo-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]ethyl]-2-piperazinone IUPAC Name: 1-(3,5-dimethylphenyl)-4-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetyl]piperazin-2-one Traditional Name: 1-(3,5-dimethylphenyl)-4-[2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetyl]piperazin-2-one Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2=O)C(=O)CC3C(=O)NCC[NH+]3C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2=O)C(=O)C[C@@H]3C(=O)NCC[NH+]3C(C)C)C

InChI

InChI=1S/C21H30N4O3/c1-14(2)24-6-5-22-21(28)18(24)12-19(26)23-7-8-25(20(27)13-23)17-10-15(3)9-16(4)11-17/h9-11,14,18H,5-8,12-13H2,1-4H3,(H,22,28)/p+1/t18-/m1/s1