[(E)-(2,5-dimethyl-1-prop-2-enyl-piperidin-1-ium-4-ylidene)amino] benzoate chloride

Systemtic Name: [(E)-(2,5-dimethyl-1-prop-2-enyl-piperidin-1-ium-4-ylidene)amino] benzoate chloride Openeye Name: [(E)-(1-allyl-2,5-dimethyl-piperidin-1-ium-4-ylidene)amino] benzoate chloride CAS Name: benzoic acid [(E)-(2,5-dimethyl-1-prop-2-enyl-4-piperidin-1-iumylidene)amino] ester chloride IUPAC Name: [(E)-(2,5-dimethyl-1-prop-2-enylpiperidin-1-ium-4-ylidene)amino] benzoate chloride Traditional Name: benzoic acid [(E)-(1-allyl-2,5-dimethyl-piperidin-1-ium-4-ylidene)amino] ester chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2.ClH/c1-4-10-19-12-13(2)16(11-14(19)3)18-21-17(20)15-8-6-5-7-9-15;/h4-9,13-14H,1,10-12H2,2-3H3;1H/b18-16+;