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

Systemtic Name: 1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-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+]3CCC(CC3)C(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-23-15-4-3-13(9-16(15)24-2)18-20-14(11-25-18)10-21-7-5-12(6-8-21)17(19)22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,22)/p+1