[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: [(1S)-2-keto-2-methoxy-1-phenyl-ethyl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C28H32N3O4+ MolecularWeight: 474.57138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-34-28(33)27(21-8-4-2-5-9-21)30-23-16-18-31(19-17-23)24-14-12-22(13-15-24)29-26(32)20-35-25-10-6-3-7-11-25/h2-15,23,27,30H,16-20H2,1H3,(H,29,32)/p+1/t27-/m0/s1