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

Systemtic Name: 1-(3-methoxyphenyl)-4-[2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one Openeye Name: 4-[2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one CAS Name: 1-(3-methoxyphenyl)-4-[2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-2-piperazinone IUPAC Name: 1-(3-methoxyphenyl)-4-[2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetyl]piperazin-2-one Traditional Name: 4-[2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N2CCN(C(=O)C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(C(=O)C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H32N4O4/c1-16(2)7-9-24-10-8-23-22(29)19(24)14-20(27)25-11-12-26(21(28)15-25)17-5-4-6-18(13-17)30-3/h4-6,13,16,19H,7-12,14-15H2,1-3H3,(H,23,29)/p+1/t19-/m1/s1