(3R)-1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCC[C@H](C3)C(=O)N)OC

InChI

InChI=1S/C18H23N3O3S/c1-23-15-6-5-12(8-16(15)24-2)18-20-14(11-25-18)10-21-7-3-4-13(9-21)17(19)22/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H2,19,22)/p+1/t13-/m1/s1