[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(3-methylphenyl)azanium

Systemtic Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(3-methylphenyl)azanium Openeye Name: [2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)ammonium CAS Name: [2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]-(3-methylphenyl)ammonium IUPAC Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-(3-methylphenyl)azanium Traditional Name: [2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]-(m-tolyl)ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C[NH2+]C2=CC=CC(=C2)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)C[NH2+]C2=CC=CC(=C2)C)C

InChI

InChI=1S/C16H24N2O/c1-12-6-4-9-15(10-12)17-11-16(19)18-13(2)7-5-8-14(18)3/h4,6,9-10,13-14,17H,5,7-8,11H2,1-3H3/p+1/t13-,14-/m0/s1