[1-[3-(2-cyclopentylethanoylamino)phenyl]piperidin-4-yl]-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [1-[3-(2-cyclopentylethanoylamino)phenyl]piperidin-4-yl]-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: [1-[3-[(2-cyclopentyl-1-oxoethyl)amino]phenyl]-4-piperidinyl]-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [1-[3-[(2-cyclopentylacetyl)amino]phenyl]piperidin-4-yl]-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-methoxy-ethyl]-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C28H38N3O3+ MolecularWeight: 464.61962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CC4CCCC4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CC4CCCC4

InChI

InChI=1S/C28H37N3O3/c1-34-28(33)26(18-21-8-3-2-4-9-21)29-23-14-16-31(17-15-23)25-13-7-12-24(20-25)30-27(32)19-22-10-5-6-11-22/h2-4,7-9,12-13,20,22-23,26,29H,5-6,10-11,14-19H2,1H3,(H,30,32)/p+1/t26-/m0/s1