[2,4-dimethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride

Systemtic Name: [2,4-dimethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride Openeye Name: [2,4-dimethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride CAS Name: [2,4-dimethoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-phenylmethanone chloride IUPAC Name: [2,4-dimethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-phenylmethanone chloride Traditional Name: [2,4-dimethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC)C[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC)C[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C21H25NO3.ClH/c1-24-19-12-11-17(20(23)16-9-5-3-6-10-16)21(25-2)18(19)15-22-13-7-4-8-14-22;/h3,5-6,9-12H,4,7-8,13-15H2,1-2H3;1H