methyl (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate Openeye Name: methyl (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate CAS Name: (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-1-ium-3-carboxylate Traditional Name: (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-3-carboxylic acid methyl ester Formula: C14H19ClNO2+ MolecularWeight: 268.75916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CC[C@@H]([C@H](C1)C(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/p+1/t12-,13+/m1/s1