dimethyl-[3-[(4E,5R)-4-[(4-methylphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-4-yl-pyrrolidin-1-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[(4E,5R)-4-[(4-methylphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-4-yl-pyrrolidin-1-yl]propyl]azanium Openeye Name: 3-[(4E,5R)-4-[hydroxy(p-tolyl)methylene]-2,3-dioxo-5-(4-pyridyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(4E,5R)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-4-yl-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(4E,5R)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(4E,5R)-4-[hydroxy(p-tolyl)methylene]-2,3-diketo-5-(4-pyridyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/[C@H](N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=NC=C3)/O

InChI

InChI=1S/C22H25N3O3/c1-15-5-7-17(8-6-15)20(26)18-19(16-9-11-23-12-10-16)25(22(28)21(18)27)14-4-13-24(2)3/h5-12,19,26H,4,13-14H2,1-3H3/p+1/b20-18+/t19-/m1/s1