2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butyl]isoindoline-1,3-quinone Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H24N2O3/c1-13-11-19(12-14(2)23-13)9-5-6-10-20-17(21)15-7-3-4-8-16(15)18(20)22/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/p+1/t13-,14-/m0/s1