[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=C2C=CC=NC2=S)[O-])[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=C2C=CC=NC2=S)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3O2S/c1-25-16-9-7-15(8-10-16)18(23-12-3-2-4-13-23)14-22-19(24)17-6-5-11-21-20(17)26/h5-11,18,22,24H,2-4,12-14H2,1H3/t18-/m0/s1