(3S)-1-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC(C3)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCC[C@@H](C3)O)OC

InChI

InChI=1S/C18H24N2O3S/c1-3-23-16-7-6-13(9-17(16)22-2)18-19-14(12-24-18)10-20-8-4-5-15(21)11-20/h6-7,9,12,15,21H,3-5,8,10-11H2,1-2H3/p+1/t15-/m0/s1