3-[(3aS,4R,8aS,8bR)-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[(3aS,4R,8aS,8bR)-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium Openeye Name: 3-[(3aS,4R,8aS,8bR)-4-[5-(5-chloro-2-thienyl)isoxazol-3-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-ammonium CAS Name: 3-[(3aS,4R,8aS,8bR)-4-[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethylammonium IUPAC Name: 3-[(3aS,4R,8aS,8bR)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethylazanium Traditional Name: 3-[(3aS,4R,8aS,8bR)-4-[5-(5-chloro-2-thienyl)isoxazol-3-yl]-1,3-diketo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-ammonium Formula: C22H28ClN4O3S+ MolecularWeight: 464.00072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)C4=NOC(=C4)C5=CC=C(S5)Cl

Isomeric SMILES

C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)C4=NOC(=C4)C5=CC=C(S5)Cl

InChI

InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)18-14-6-4-9-25(14)20(19(18)22(26)29)13-12-15(30-24-13)16-7-8-17(23)31-16/h7-8,12,14,18-20H,4-6,9-11H2,1-3H3/q+1/t14-,18-,19-,20-/m0/s1