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

Systemtic Name: (2-methylphenyl)-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(o-tolyl)ammonium CAS Name: (2-methylphenyl)-[(2S)-1-[(3S)-3-methyl-1-piperidinyl]-1-oxopropan-2-yl]ammonium IUPAC Name: (2-methylphenyl)-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[(3S)-3-methylpiperidino]ethyl]-(o-tolyl)ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)[NH2+]C2=CC=CC=C2C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)[C@H](C)[NH2+]C2=CC=CC=C2C

InChI

InChI=1S/C16H24N2O/c1-12-7-6-10-18(11-12)16(19)14(3)17-15-9-5-4-8-13(15)2/h4-5,8-9,12,14,17H,6-7,10-11H2,1-3H3/p+1/t12-,14-/m0/s1