ethyl 1-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,6-diisopropylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C22H34N2O3/c1-6-27-22(26)17-10-12-24(13-11-17)14-20(25)23-21-18(15(2)3)8-7-9-19(21)16(4)5/h7-9,15-17H,6,10-14H2,1-5H3,(H,23,25)/p+1