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

Systemtic Name: [(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]-(4-propan-2-ylphenyl)azanium Openeye Name: [(1S)-2-[(2S)-2-ethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]-(4-isopropylphenyl)ammonium CAS Name: [(2S)-1-[(2S)-2-ethyl-1-piperidinyl]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)ammonium IUPAC Name: [(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)azanium Traditional Name: [(1S)-2-[(2S)-2-ethylpiperidino]-2-keto-1-methyl-ethyl]-p-cumenyl-ammonium Formula: C19H31N2O+ MolecularWeight: 303.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)[NH2+]C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C19H30N2O/c1-5-18-8-6-7-13-21(18)19(22)15(4)20-17-11-9-16(10-12-17)14(2)3/h9-12,14-15,18,20H,5-8,13H2,1-4H3/p+1/t15-,18-/m0/s1