ethyl (3S)-1-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-p-cumenylethylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H33N2O3+ MolecularWeight: 361.49832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H32N2O3/c1-4-26-21(25)19-6-5-13-23(14-19)15-20(24)22-12-11-17-7-9-18(10-8-17)16(2)3/h7-10,16,19H,4-6,11-15H2,1-3H3,(H,22,24)/p+1/t19-/m0/s1