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

Systemtic Name: 3-[(5S)-4-[(4-butoxy-3-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-4-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-2,3-dioxo-5-(4-pyridyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5S)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-yl-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(5S)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-2,3-diketo-5-(4-pyridyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-5-6-16-33-21-9-8-20(17-18(21)2)24(30)22-23(19-10-12-27-13-11-19)29(26(32)25(22)31)15-7-14-28(3)4/h8-13,17,23,30H,5-7,14-16H2,1-4H3/p+1/t23-/m0/s1