[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]methanol

Systemtic Name: [6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]methanol Openeye Name: [6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-methyl-1-oxido-pyridin-1-ium-2-yl]methanol CAS Name: [6-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-methyl-1-oxido-2-pyridin-1-iumyl]methanol IUPAC Name: [6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1-oxidopyridin-1-ium-2-yl]methanol Traditional Name: [6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-methyl-1-oxido-pyridin-1-ium-2-yl]methanol Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=[N+](C(=CC(=C3)C)CO)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=[N+](C(=CC(=C3)C)CO)[O-])OCC

InChI

InChI=1S/C20H22N2O4S/c1-4-25-18-7-6-14(10-19(18)26-5-2)20-21-16(12-27-20)17-9-13(3)8-15(11-23)22(17)24/h6-10,12,23H,4-5,11H2,1-3H3