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

Systemtic Name: [4-(3-cyclohexyloxy-2-oxidanyl-propyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Openeye Name: [4-[3-(cyclohexoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone chloride CAS Name: [4-(3-cyclohexyloxy-2-hydroxypropyl)-1-piperazin-4-iumyl]-phenylmethanone chloride IUPAC Name: [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-4-ium-1-yl]-phenylmethanone chloride Traditional Name: [4-[3-(cyclohexoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone chloride Formula: C20H31ClN2O3 MolecularWeight: 382.92474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H30N2O3.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;/h1,3-4,7-8,18-19,23H,2,5-6,9-16H2;1H