[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]-phenyl-azanium

Systemtic Name: [(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]-phenyl-azanium Openeye Name: [(1S)-1-methyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-phenyl-ammonium CAS Name: [(2S)-1-[(3S)-3-methyl-1-piperidinyl]-1-oxopropan-2-yl]-phenylammonium IUPAC Name: [(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-phenylazanium Traditional Name: [(1S)-2-keto-1-methyl-2-[(3S)-3-methylpiperidino]ethyl]-phenyl-ammonium Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)[NH2+]C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)[C@H](C)[NH2+]C2=CC=CC=C2

InChI

InChI=1S/C15H22N2O/c1-12-7-6-10-17(11-12)15(18)13(2)16-14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/p+1/t12-,13-/m0/s1