2-[4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(2,5-dimethylphenyl)-hydroxy-methylene]-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(2,5-dimethylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-[(2,5-dimethylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[(2,5-dimethylphenyl)-hydroxy-methylene]-2,3-diketo-5-pyridin-1-ium-3-yl-pyrrolidino]ethyl-dimethyl-ammonium Formula: C22H27N3O3+2 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)C3=C[NH+]=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)C3=C[NH+]=CC=C3)O

InChI

InChI=1S/C22H25N3O3/c1-14-7-8-15(2)17(12-14)20(26)18-19(16-6-5-9-23-13-16)25(11-10-24(3)4)22(28)21(18)27/h5-9,12-13,19,26H,10-11H2,1-4H3/p+2