[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride

Systemtic Name: [4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Openeye Name: [4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride CAS Name: [4-(2-hydroxy-3-phenoxypropyl)-1-piperazin-4-iumyl]-phenylmethanone chloride IUPAC Name: [4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-phenylmethanone chloride Traditional Name: [4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H24N2O3.ClH/c23-18(16-25-19-9-5-2-6-10-19)15-21-11-13-22(14-12-21)20(24)17-7-3-1-4-8-17;/h1-10,18,23H,11-16H2;1H