5-methyl-2-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[4-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butyl]-5-methyl-isoindoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CC[NH+](CC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CC[NH+](C[C@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O3/c1-17-10-11-19-20(15-17)24(30)27(23(19)29)12-6-9-22(28)26-14-13-25(2)16-21(26)18-7-4-3-5-8-18/h3-5,7-8,10-11,15,21H,6,9,12-14,16H2,1-2H3/p+1/t21-/m0/s1