dimethyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium

Systemtic Name: dimethyl-(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: dimethyl-(4-oxo-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: mercapto-dimethyl-[4-oxo-2-[oxo(pentoxy)methyl]-4-pentoxy-1-sulfanylidenebutyl]ammonium IUPAC Name: dimethyl-(4-oxo-4-pentoxy-2-pentoxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-amoxy-2-amoxycarbonyl-4-keto-butanethioyl)-mercapto-dimethyl-ammonium Formula: C17H32NO4S2+ MolecularWeight: 378.57028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCC

InChI

InChI=1S/C17H32NO4S2/c1-5-7-9-11-21-15(19)13-14(16(23)18(3,4)24)17(20)22-12-10-8-6-2/h14,24H,5-13H2,1-4H3/q+1