[(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate chloride

Systemtic Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate chloride Openeye Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate chloride CAS Name: benzoic acid [(1-methyl-4-piperidin-1-iumylidene)amino] ester chloride IUPAC Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate chloride Traditional Name: benzoic acid [(1-methylpiperidin-1-ium-4-ylidene)amino] ester chloride Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NOC(=O)C2=CC=CC=C2)CC1.[Cl-]

Isomeric SMILES

C[NH+]1CCC(=NOC(=O)C2=CC=CC=C2)CC1.[Cl-]

InChI

InChI=1S/C13H16N2O2.ClH/c1-15-9-7-12(8-10-15)14-17-13(16)11-5-3-2-4-6-11;/h2-6H,7-10H2,1H3;1H