1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-one CAS Name: 1-[[2-(3-methoxyphenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumone IUPAC Name: 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-one Traditional Name: 1-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-one Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCC(=O)CC3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCC(=O)CC3

InChI

InChI=1S/C16H18N2O2S/c1-20-15-4-2-3-12(9-15)16-17-13(11-21-16)10-18-7-5-14(19)6-8-18/h2-4,9,11H,5-8,10H2,1H3/p+1