thiophen-2-yl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: thiophen-2-yl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: 2-thienyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride CAS Name: thiophen-2-yl-[4-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: thiophen-2-yl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Traditional Name: 2-thienyl-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C18H22N2O4S.ClH/c1-22-14-11-13(12-15(23-2)17(14)24-3)19-6-8-20(9-7-19)18(21)16-5-4-10-25-16;/h4-5,10-12H,6-9H2,1-3H3;1H