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

Systemtic Name: [(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]-(4-propan-2-ylphenyl)azanium Openeye Name: (4-isopropylphenyl)-[(1S)-1-methyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[(3S)-3-methyl-1-piperidinyl]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)ammonium IUPAC Name: [(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[(3S)-3-methylpiperidino]ethyl]-p-cumenyl-ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-13(2)16-7-9-17(10-8-16)19-15(4)18(21)20-11-5-6-14(3)12-20/h7-10,13-15,19H,5-6,11-12H2,1-4H3/p+1/t14-,15-/m0/s1