3-[(5R)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-thiophen-2-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(5R)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-thiophen-2-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5R)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-2,3-dioxo-5-(2-thienyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5R)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-thiophen-2-yl-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(5R)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-2,3-diketo-5-(2-thienyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C25H33N2O4S+ MolecularWeight: 457.60552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=CS3)O)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=CS3)O)C

InChI

InChI=1S/C25H32N2O4S/c1-5-6-14-31-18-10-11-19(17(2)16-18)23(28)21-22(20-9-7-15-32-20)27(25(30)24(21)29)13-8-12-26(3)4/h7,9-11,15-16,22,28H,5-6,8,12-14H2,1-4H3/p+1/t22-/m0/s1