1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2,6-diethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,6-diethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,6-diethylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-3-13-6-5-7-14(4-2)17(13)19-16(21)12-20-10-8-15(9-11-20)18(22)23/h5-7,15H,3-4,8-12H2,1-2H3,(H,19,21)(H,22,23)