1-[(2-chlorophenyl)-methoxy-methylidene]piperidin-1-ium; methyl sulfate

Systemtic Name: 1-[(2-chlorophenyl)-methoxy-methylidene]piperidin-1-ium; methyl sulfate Openeye Name: 1-[(2-chlorophenyl)-methoxy-methylene]piperidin-1-ium; methyl sulfate CAS Name: 1-[(2-chlorophenyl)-methoxymethylidene]piperidin-1-ium; methyl sulfate IUPAC Name: 1-[(2-chlorophenyl)-methoxymethylidene]piperidin-1-ium; methyl sulfate Traditional Name: 1-[(2-chlorophenyl)-methoxy-methylene]piperidin-1-ium; methyl sulfate Formula: C14H20ClNO5S MolecularWeight: 349.8303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=[N+]1CCCCC1)C2=CC=CC=C2Cl.COS(=O)(=O)[O-]

Isomeric SMILES

COC(=[N+]1CCCCC1)C2=CC=CC=C2Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H17ClNO.CH4O4S/c1-16-13(15-9-5-2-6-10-15)11-7-3-4-8-12(11)14;1-5-6(2,3)4/h3-4,7-8H,2,5-6,9-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1