[3-[[4-(3-butoxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium iodide

Systemtic Name: [3-[[4-(3-butoxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium iodide Openeye Name: [3-[4-(3-butoxy-2-hydroxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium iodide CAS Name: [3-[4-(3-butoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium iodide IUPAC Name: [3-[4-(3-butoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium iodide Traditional Name: [3-[4-(3-butoxy-2-hydroxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium iodide Formula: C18H30INO4S MolecularWeight: 483.40457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.[I-]

Isomeric SMILES

CCCCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.[I-]

InChI

InChI=1S/C18H29NO4S.HI/c1-4-5-11-22-13-16(20)14-23-17-8-6-15(7-9-17)19-18(21)10-12-24(2)3;/h6-9,16,20H,4-5,10-14H2,1-3H3;1H