[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-[(2R)-1-pyridin-2-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-[(2R)-1-pyridin-2-ylpropan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-(2-pyridyl)ethyl]-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-[(2R)-1-(2-pyridinyl)propan-2-yl]ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-[(2R)-1-pyridin-2-ylpropan-2-yl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(2-pyridyl)ethyl]ammonium Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=N1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H](CC1=CC=CC=N1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-22(21-26-9-5-6-18-29-26)30-25-16-19-32(20-17-25)27-13-11-24(12-14-27)31-28(33)15-10-23-7-3-2-4-8-23/h2-9,11-14,18,22,25,30H,10,15-17,19-21H2,1H3,(H,31,33)/p+1/t22-/m1/s1