3-[1-cyclopentyl-2-[4-[dimethyl(phenethyl)azaniumyl]piperidin-1-yl]-1-oxidanyl-2-oxidanylidene-ethyl]phenolate

Systemtic Name: 3-[1-cyclopentyl-2-[4-[dimethyl(phenethyl)azaniumyl]piperidin-1-yl]-1-oxidanyl-2-oxidanylidene-ethyl]phenolate Openeye Name: 3-[1-cyclopentyl-2-[4-[dimethyl(phenethyl)ammonio]-1-piperidyl]-1-hydroxy-2-oxo-ethyl]phenolate CAS Name: 3-[1-cyclopentyl-2-[4-[dimethyl(phenethyl)ammonio]-1-piperidinyl]-1-hydroxy-2-oxoethyl]phenolate IUPAC Name: 3-[1-cyclopentyl-2-[4-[dimethyl(phenethyl)azaniumyl]piperidin-1-yl]-1-hydroxy-2-oxoethyl]phenolate Traditional Name: 3-[1-cyclopentyl-2-[4-[dimethyl(phenethyl)ammonio]piperidino]-1-hydroxy-2-keto-ethyl]phenolate Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O3/c1-30(2,20-17-22-9-4-3-5-10-22)25-15-18-29(19-16-25)27(32)28(33,23-11-6-7-12-23)24-13-8-14-26(31)21-24/h3-5,8-10,13-14,21,23,25,33H,6-7,11-12,15-20H2,1-2H3