cyclohexyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: cyclohexyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: cyclohexyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride CAS Name: cyclohexyl-[4-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: cyclohexyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Traditional Name: cyclohexyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Formula: C20H31ClN2O4 MolecularWeight: 398.92414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)C3CCCCC3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)C3CCCCC3.[Cl-]

InChI

InChI=1S/C20H30N2O4.ClH/c1-24-17-13-16(14-18(25-2)19(17)26-3)21-9-11-22(12-10-21)20(23)15-7-5-4-6-8-15;/h13-15H,4-12H2,1-3H3;1H