(3-ethynylphenyl)-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH2+]C2=CC=CC(=C2)C#C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH2+]C2=CC=CC(=C2)C#C

InChI

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