[[1,4-dibutoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanyl-(dimethylamino)methylidene]-dimethyl-azanium

Systemtic Name: [[1,4-dibutoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanyl-(dimethylamino)methylidene]-dimethyl-azanium Openeye Name: [(3-butoxy-1-butoxycarbonyl-3-oxo-propyl)sulfanyl-(dimethylamino)methylene]-dimethyl-ammonium CAS Name: [[(1,4-dibutoxy-1,4-dioxobutan-2-yl)thio]-(dimethylamino)methylidene]-dimethylammonium IUPAC Name: [(1,4-dibutoxy-1,4-dioxobutan-2-yl)sulfanyl-(dimethylamino)methylidene]-dimethylazanium Traditional Name: [[(3-butoxy-1-butoxycarbonyl-3-keto-propyl)thio]-(dimethylamino)methylene]-dimethyl-ammonium Formula: C17H33N2O4S+ MolecularWeight: 361.51992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(=O)OCCCC)SC(=[N+](C)C)N(C)C

Isomeric SMILES

CCCCOC(=O)CC(C(=O)OCCCC)SC(=[N+](C)C)N(C)C

InChI

InChI=1S/C17H33N2O4S/c1-7-9-11-22-15(20)13-14(16(21)23-12-10-8-2)24-17(18(3)4)19(5)6/h14H,7-13H2,1-6H3/q+1