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

Systemtic Name: 3-[(5S)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-phenyl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5S)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-2,3-dioxo-5-phenyl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5S)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-phenyl-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(5S)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-2,3-diketo-5-phenyl-pyrrolidino]propyl-dimethyl-ammonium Formula: C27H35N2O4+ MolecularWeight: 451.5778

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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=CC=C3)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4/c1-5-6-17-33-21-13-14-22(19(2)18-21)25(30)23-24(20-11-8-7-9-12-20)29(27(32)26(23)31)16-10-15-28(3)4/h7-9,11-14,18,24,30H,5-6,10,15-17H2,1-4H3/p+1/t24-/m0/s1