5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxymethyl-dimethyl-(12-pyrrol-1-yldodecyl)azanium

Systemtic Name: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxymethyl-dimethyl-(12-pyrrol-1-yldodecyl)azanium Openeye Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxymethyl-dimethyl-(12-pyrrol-1-yldodecyl)ammonium CAS Name: [5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentoxy]methyl-dimethyl-[12-(1-pyrrolyl)dodecyl]ammonium IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxymethyl-dimethyl-(12-pyrrol-1-yldodecyl)azanium Traditional Name: 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoyloxymethyl-dimethyl-(12-pyrrol-1-yldodecyl)ammonium Formula: C29H51N4O3S+ MolecularWeight: 535.80524

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCCCCN1C=CC=C1)COC(=O)CCCCC2C3C(CS2)NC(=O)N3

Isomeric SMILES

C[N+](C)(CCCCCCCCCCCCN1C=CC=C1)COC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

InChI

InChI=1S/C29H50N4O3S/c1-33(2,22-16-10-8-6-4-3-5-7-9-13-19-32-20-14-15-21-32)24-36-27(34)18-12-11-17-26-28-25(23-37-26)30-29(35)31-28/h14-15,20-21,25-26,28H,3-13,16-19,22-24H2,1-2H3,(H-,30,31,35)/p+1/t25-,26-,28-/m0/s1