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

Systemtic Name: (3S)-1-[2-(4-chloranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-chloro-3-methyl-phenyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-chloro-3-methyl-phenyl)-2-keto-ethyl]piperidin-1-ium-3-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+]2CCCC(C2)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])Cl

InChI

InChI=1S/C15H18ClNO3/c1-10-7-11(4-5-13(10)16)14(18)9-17-6-2-3-12(8-17)15(19)20/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,19,20)/t12-/m0/s1