(3S)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-isopropoxyphenyl)-1-(morpholin-4-ium-4-ylmethyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-morpholin-4-iumylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-isopropoxyphenyl)-1-(morpholin-4-ium-4-ylmethyl)pyrrolidine-2,5-quinone Formula: C18H25N2O4+ MolecularWeight: 333.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H]2CC(=O)N(C2=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H24N2O4/c1-13(2)24-15-5-3-14(4-6-15)16-11-17(21)20(18(16)22)12-19-7-9-23-10-8-19/h3-6,13,16H,7-12H2,1-2H3/p+1/t16-/m0/s1