1-[2-(4-chloranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(4-chloranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-chloro-3-methyl-phenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-chloro-3-methyl-phenyl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-])Cl

InChI

InChI=1S/C15H18ClNO3/c1-10-8-12(2-3-13(10)16)14(18)9-17-6-4-11(5-7-17)15(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,19,20)