N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-thiazole-4-carboxamide CAS Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-4-thiazolecarboxamide IUPAC Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide Traditional Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-thiazole-4-carboxamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=CSC=N3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=CSC=N3

InChI

InChI=1S/C20H27N3O2S/c1-22(20(24)18-14-26-15-21-18)12-16-6-5-10-23(13-16)11-9-17-7-3-4-8-19(17)25-2/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3/p+1/t16-/m1/s1