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

Systemtic Name: [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(1S)-2-keto-2-methoxy-1-phenyl-ethyl]-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3/c1-36-30(35)29(24-13-6-3-7-14-24)32-25-18-20-33(21-19-25)27-16-9-15-26(22-27)31-28(34)17-8-12-23-10-4-2-5-11-23/h2-7,9-11,13-16,22,25,29,32H,8,12,17-21H2,1H3,(H,31,34)/p+1/t29-/m0/s1