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

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-methoxyphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methoxyphenyl)-3-[(1R)-2-(4-morpholin-4-iumyl)-1-cyclohex-2-enyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methoxyphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-methoxyphenyl)-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-quinone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCC=C3[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[C@H]3CCCC=C3[NH+]4CCOCC4

InChI

InChI=1S/C21H26N2O4/c1-26-16-8-6-15(7-9-16)23-20(24)14-18(21(23)25)17-4-2-3-5-19(17)22-10-12-27-13-11-22/h5-9,17-18H,2-4,10-14H2,1H3/p+1/t17-,18+/m1/s1