[(1R,3R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [(1R,3R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(1R,3R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(1R,3R)-1-methyl-1-(3-phenylpropyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(1R,3R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(1R,3R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] ester Formula: C25H30NO3S2+ MolecularWeight: 456.6406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCC4=CC=CC=C4

Isomeric SMILES

C[N@+]1(CCC[C@H](C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30NO3S2/c1-26(15-5-11-20-9-3-2-4-10-20)16-6-12-21(19-26)29-24(27)25(28,22-13-7-17-30-22)23-14-8-18-31-23/h2-4,7-10,13-14,17-18,21,28H,5-6,11-12,15-16,19H2,1H3/q+1/t21-,26-/m1/s1