(3,4-dimethylphenyl)-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (3,4-dimethylphenyl)-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (3,4-dimethylphenyl)-[(1S)-1-methyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: (3,4-dimethylphenyl)-[(2S)-1-[(3S)-3-methyl-1-piperidinyl]-1-oxopropan-2-yl]ammonium IUPAC Name: (3,4-dimethylphenyl)-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: (3,4-dimethylphenyl)-[(1S)-2-keto-1-methyl-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-12-6-5-9-19(11-12)17(20)15(4)18-16-8-7-13(2)14(3)10-16/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3/p+1/t12-,15-/m0/s1