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

Systemtic Name: (3S)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[(1R)-2-(4-morpholin-4-iumyl)-1-cyclohex-2-enyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-quinone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(C1)C2CC(=O)N(C2=O)CC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CC=C([C@H](C1)[C@@H]2CC(=O)N(C2=O)CC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C21H26N2O3/c24-20-14-18(21(25)23(20)15-16-6-2-1-3-7-16)17-8-4-5-9-19(17)22-10-12-26-13-11-22/h1-3,6-7,9,17-18H,4-5,8,10-15H2/p+1/t17-,18+/m1/s1