[(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate chloride

Systemtic Name: [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate chloride Openeye Name: [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate chloride CAS Name: benzoic acid [(E)-(1,2,5-trimethyl-4-piperidin-1-iumylidene)amino] ester chloride IUPAC Name: [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate chloride Traditional Name: benzoic acid [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] ester chloride Formula: C15H21ClN2O2 MolecularWeight: 296.79244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NOC(=O)C2=CC=CC=C2)C(C[NH+]1C)C.[Cl-]

Isomeric SMILES

CC1C/C(=N\OC(=O)C2=CC=CC=C2)/C(C[NH+]1C)C.[Cl-]

InChI

InChI=1S/C15H20N2O2.ClH/c1-11-10-17(3)12(2)9-14(11)16-19-15(18)13-7-5-4-6-8-13;/h4-8,11-12H,9-10H2,1-3H3;1H/b16-14+;