(3-ethynylphenyl)-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]azanium

Systemtic Name: (3-ethynylphenyl)-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]azanium Openeye Name: (3-ethynylphenyl)-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]ammonium CAS Name: (3-ethynylphenyl)-[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]ammonium IUPAC Name: (3-ethynylphenyl)-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]azanium Traditional Name: (3-ethynylphenyl)-[(1S)-2-keto-1-methyl-2-piperidino-ethyl]ammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)[NH2+]C2=CC=CC(=C2)C#C

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)[NH2+]C2=CC=CC(=C2)C#C

InChI

InChI=1S/C16H20N2O/c1-3-14-8-7-9-15(12-14)17-13(2)16(19)18-10-5-4-6-11-18/h1,7-9,12-13,17H,4-6,10-11H2,2H3/p+1/t13-/m0/s1