[(1S)-2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H27N5O/c1-26(2)20(18-6-4-3-5-7-18)16-25-22(28)19-10-12-27(13-11-19)21-9-8-17(14-23)15-24-21/h3-9,15,19-20H,10-13,16H2,1-2H3,(H,25,28)/p+1/t20-/m1/s1