1-cyclopentyl-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate

Systemtic Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(1R)-1-methyl-1-phenethyl-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-phenethylpiperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C27H35NO3/c1-28(20-18-22-11-4-2-5-12-22)19-10-17-25(21-28)31-26(29)27(30,24-15-8-9-16-24)23-13-6-3-7-14-23/h2-7,11-14,24-25H,8-10,15-21H2,1H3/t25?,27?,28-/m1/s1