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

Systemtic Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] 4-propoxybenzoate chloride Openeye Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] 4-propoxybenzoate chloride CAS Name: 4-propoxybenzoic acid [(1-methyl-4-piperidin-1-iumylidene)amino] ester chloride IUPAC Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] 4-propoxybenzoate chloride Traditional Name: 4-propoxybenzoic acid [(1-methylpiperidin-1-ium-4-ylidene)amino] ester chloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)ON=C2CC[NH+](CC2)C.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)ON=C2CC[NH+](CC2)C.[Cl-]

InChI

InChI=1S/C16H22N2O3.ClH/c1-3-12-20-15-6-4-13(5-7-15)16(19)21-17-14-8-10-18(2)11-9-14;/h4-7H,3,8-12H2,1-2H3;1H