(3R)-3-(4-cyclohexylpiperazin-1-ium-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(4-cyclohexylpiperazin-1-ium-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-cyclohexylpiperazin-1-ium-1-yl)-1-(5-methylisoxazol-3-yl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(4-cyclohexyl-1-piperazin-1-iumyl)-1-(5-methyl-3-isoxazolyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-cyclohexylpiperazin-1-ium-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-cyclohexylpiperazin-1-ium-1-yl)-1-(5-methylisoxazol-3-yl)pyrrolidine-2,5-quinone Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C18H26N4O3/c1-13-11-16(19-25-13)22-17(23)12-15(18(22)24)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3/p+1/t15-/m1/s1