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

Systemtic Name: ethyl 1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OCC)C

InChI

InChI=1S/C19H28N2O3/c1-4-15-8-6-7-14(3)18(15)20-17(22)13-21-11-9-16(10-12-21)19(23)24-5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,20,22)/p+1