methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(2R)-2-hydroxy-2-phenylethyl]-methyl-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(2R)-2-hydroxy-2-phenylethyl]-methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium Formula: C30H38N3O2+ MolecularWeight: 472.64162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O2/c1-32(23-29(34)25-13-6-3-7-14-25)27-18-20-33(21-19-27)28-16-9-15-26(22-28)31-30(35)17-8-12-24-10-4-2-5-11-24/h2-7,9-11,13-16,22,27,29,34H,8,12,17-21,23H2,1H3,(H,31,35)/p+1/t29-/m0/s1