4-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-phenyl-thiazole-5-carboxamide CAS Name: 4-methyl-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-2-phenyl-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-phenyl-thiazole-5-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3OS/c1-15-17(25-19(22-15)16-10-6-4-7-11-16)18(24)21-14-20(2,3)23-12-8-5-9-13-23/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,21,24)/p+1