4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C23H27N2O5S+ MolecularWeight: 443.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C23H26N2O5S/c1-15-14-16(29-2)5-6-17(15)21(26)19-20(18-4-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-30-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3/p+1