(3S)-1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylcyclohexen-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylcyclohexen-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(2-morpholin-4-ium-4-ylcyclohexen-1-yl)-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methylphenyl)-3-[2-(4-morpholin-4-iumyl)-1-cyclohexenyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylcyclohexen-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(2-morpholin-4-ium-4-ylcyclohexen-1-yl)-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(CCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)C3=C(CCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C21H26N2O3/c1-15-6-8-16(9-7-15)23-20(24)14-18(21(23)25)17-4-2-3-5-19(17)22-10-12-26-13-11-22/h6-9,18H,2-5,10-14H2,1H3/p+1/t18-/m0/s1