2-[piperidin-1-ium-1-ylidene-(3,4,5-trimethoxyphenyl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[piperidin-1-ium-1-ylidene-(3,4,5-trimethoxyphenyl)methyl]sulfanylethanoic acid Openeye Name: 2-[piperidin-1-ium-1-ylidene-(3,4,5-trimethoxyphenyl)methyl]sulfanylacetic acid CAS Name: 2-[[1-piperidin-1-iumylidene-(3,4,5-trimethoxyphenyl)methyl]thio]acetic acid IUPAC Name: 2-[piperidin-1-ium-1-ylidene-(3,4,5-trimethoxyphenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[piperidin-1-ium-1-ylidene-(3,4,5-trimethoxyphenyl)methyl]thio]acetic acid Formula: C17H24NO5S+ MolecularWeight: 354.44116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=[N+]2CCCCC2)SCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=[N+]2CCCCC2)SCC(=O)O

InChI

InChI=1S/C17H23NO5S/c1-21-13-9-12(10-14(22-2)16(13)23-3)17(24-11-15(19)20)18-7-5-4-6-8-18/h9-10H,4-8,11H2,1-3H3/p+1