[(3S)-1-(2-ethanoylphenyl)carbonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(2-ethanoylphenyl)carbonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(2-acetylbenzoyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(2-acetylphenyl)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(2-acetylbenzoyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(2-acetylbenzoyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C22H27N3O2/c1-17(26)20-10-3-4-11-21(20)22(27)25-14-7-9-19(16-25)24(2)15-12-18-8-5-6-13-23-18/h3-6,8,10-11,13,19H,7,9,12,14-16H2,1-2H3/p+1/t19-/m0/s1