(2-sulfanylidene-1H-pyridin-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-thioxo-1H-pyridin-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-thioxo-1H-pyridin-3-yl)-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CNC3=S)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CNC3=S)OC)OC

InChI

InChI=1S/C20H25N3O4S/c1-25-16-7-6-14(17(26-2)18(16)27-3)13-22-9-11-23(12-10-22)20(24)15-5-4-8-21-19(15)28/h4-8H,9-13H2,1-3H3,(H,21,28)/p+1