[(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] 3-methylbenzoate chloride

Systemtic Name: [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] 3-methylbenzoate chloride Openeye Name: [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] 3-methylbenzoate chloride CAS Name: 3-methylbenzoic 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] 3-methylbenzoate chloride Traditional Name: 3-methylbenzoic acid [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] ester chloride Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2.ClH/c1-11-6-5-7-14(8-11)16(19)20-17-15-9-13(3)18(4)10-12(15)2;/h5-8,12-13H,9-10H2,1-4H3;1H/b17-15+;