(3S)-1-(4-ethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-ethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethylphenyl)-3-[(1R)-2-(4-morpholin-4-iumyl)-1-cyclohex-2-enyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-ethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-ethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-quinone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCC=C3[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[C@H]3CCCC=C3[NH+]4CCOCC4

InChI

InChI=1S/C22H28N2O3/c1-2-16-7-9-17(10-8-16)24-21(25)15-19(22(24)26)18-5-3-4-6-20(18)23-11-13-27-14-12-23/h6-10,18-19H,2-5,11-15H2,1H3/p+1/t18-,19+/m1/s1