1-[ethanoyl-(2,4,6-trimethylphenyl)amino]-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-[ethanoyl-(2,4,6-trimethylphenyl)amino]-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidin-1-ium-4-carboxylic acid Openeye Name: 1-(N-acetyl-2,4,6-trimethyl-anilino)-1-(2-hydroxy-1-methyl-2-oxo-ethyl)piperidin-1-ium-4-carboxylic acid CAS Name: 1-(N-acetyl-2,4,6-trimethylanilino)-1-(1-hydroxy-1-oxopropan-2-yl)-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(N-acetyl-2,4,6-trimethylanilino)-1-(1-hydroxy-1-oxopropan-2-yl)piperidin-1-ium-4-carboxylic acid Traditional Name: 1-(N-acetyl-2,4,6-trimethyl-anilino)-1-(2-hydroxy-2-keto-1-methyl-ethyl)piperidin-1-ium-4-carboxylic acid Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(C(=O)C)[N+]2(CCC(CC2)C(=O)O)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C(=O)C)[N+]2(CCC(CC2)C(=O)O)C(C)C(=O)O)C

InChI

InChI=1S/C20H28N2O5/c1-12-10-13(2)18(14(3)11-12)21(16(5)23)22(15(4)19(24)25)8-6-17(7-9-22)20(26)27/h10-11,15,17H,6-9H2,1-5H3,(H-,24,25,26,27)/p+1