4-(4-methylphenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(4-methylphenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(4-methylphenyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(4-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-4-p-toluoyl-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C23H27N3O4+2 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-16-4-6-17(7-5-16)21(27)19-20(18-3-2-8-24-15-18)26(23(29)22(19)28)10-9-25-11-13-30-14-12-25/h2-8,15,19-20H,9-14H2,1H3/p+2