2-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]isoindoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

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