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

Systemtic Name: methyl 1-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C21H32N2O3/c1-14(2)17-7-6-8-18(15(3)4)20(17)22-19(24)13-23-11-9-16(10-12-23)21(25)26-5/h6-8,14-16H,9-13H2,1-5H3,(H,22,24)/p+1