4-[2-[[1-(2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoyl)piperidin-4-yl]-dimethyl-azaniumyl]ethyl]phenolate

Systemtic Name: 4-[2-[[1-(2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoyl)piperidin-4-yl]-dimethyl-azaniumyl]ethyl]phenolate Openeye Name: 4-[2-[[1-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]-4-piperidyl]-dimethyl-ammonio]ethyl]phenolate CAS Name: 4-[2-[[1-(2-cyclopentyl-2-hydroxy-1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-dimethylammonio]ethyl]phenolate IUPAC Name: 4-[2-[[1-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)piperidin-4-yl]-dimethylazaniumyl]ethyl]phenolate Traditional Name: 4-[2-[[1-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]-4-piperidyl]-dimethyl-ammonio]ethyl]phenolate Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=C(C=C1)[O-])C2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC=CS4)O

Isomeric SMILES

C[N+](C)(CCC1=CC=C(C=C1)[O-])C2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC=CS4)O

InChI

InChI=1S/C26H36N2O3S/c1-28(2,18-15-20-9-11-23(29)12-10-20)22-13-16-27(17-14-22)25(30)26(31,21-6-3-4-7-21)24-8-5-19-32-24/h5,8-12,19,21-22,31H,3-4,6-7,13-18H2,1-2H3