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

Systemtic Name: (3S)-3-[(1R)-2-morpholin-4-ium-4-ylidenecyclohexyl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylidenecyclohexyl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[(1R)-2-(4-morpholin-4-iumylidene)cyclohexyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylidenecyclohexyl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylidenecyclohexyl]pyrrolidine-2,5-quinone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+]2CCOCC2)C(C1)C3CC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=[N+]2CCOCC2)[C@H](C1)[C@@H]3CC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N2O3/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/h1-3,6-7,17-18H,4-5,8-15H2/q+1/t17-,18+/m1/s1