3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-ethoxycarbothioylsulfanyl-pentanoyl]oxypropyl-trimethyl-azanium

Systemtic Name: 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-ethoxycarbothioylsulfanyl-pentanoyl]oxypropyl-trimethyl-azanium Openeye Name: 3-[5-(1,3-dioxoisoindolin-2-yl)-4-ethoxycarbothioylsulfanyl-pentanoyl]oxypropyl-trimethyl-ammonium CAS Name: 3-[5-(1,3-dioxo-2-isoindolyl)-4-[[ethoxy(sulfanylidene)methyl]thio]-1-oxopentoxy]propyl-trimethylammonium IUPAC Name: 3-[5-(1,3-dioxoisoindol-2-yl)-4-ethoxycarbothioylsulfanylpentanoyl]oxypropyl-trimethylazanium Traditional Name: 3-[4-(ethoxycarbothioylthio)-5-phthalimido-pentanoyl]oxypropyl-trimethyl-ammonium Formula: C22H31N2O5S2+ MolecularWeight: 467.62194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)OCCC[N+](C)(C)C)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=S)SC(CCC(=O)OCCC[N+](C)(C)C)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C22H31N2O5S2/c1-5-28-22(30)31-16(11-12-19(25)29-14-8-13-24(2,3)4)15-23-20(26)17-9-6-7-10-18(17)21(23)27/h6-7,9-10,16H,5,8,11-15H2,1-4H3/q+1