1-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O3/c1-10-2-3-12(16)8-13(10)17-14(19)9-18-6-4-11(5-7-18)15(20)21/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)(H,20,21)