[(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate

Systemtic Name: [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate Openeye Name: [(3R)-1-(4-methylpent-3-enyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)pent-4-enoate CAS Name: 2-hydroxy-2-thiophen-2-yl-4-pentenoic acid [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-thiophen-2-ylpent-4-enoate Traditional Name: 2-hydroxy-2-(2-thienyl)pent-4-enoic acid [(3R)-1-(4-methylpent-3-enyl)quinuclidin-1-ium-3-yl] ester Formula: C22H32NO3S+ MolecularWeight: 390.55938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC[N+]12CCC(CC1)C(C2)OC(=O)C(CC=C)(C3=CC=CS3)O)C

Isomeric SMILES

CC(=CCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(CC=C)(C3=CC=CS3)O)C

InChI

InChI=1S/C22H32NO3S/c1-4-11-22(25,20-8-6-15-27-20)21(24)26-19-16-23(12-5-7-17(2)3)13-9-18(19)10-14-23/h4,6-8,15,18-19,25H,1,5,9-14,16H2,2-3H3/q+1/t18?,19-,22?,23?/m0/s1