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

Systemtic Name: N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-ethyl-2-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]thiazole-4-carboxamide CAS Name: N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-ethyl-2-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]thiazole-4-carboxamide Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=CSC(=N3)C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=CSC(=N3)C

InChI

InChI=1S/C22H31N3OS/c1-4-25(22(26)21-16-27-18(3)23-21)15-19-9-12-24(13-10-19)14-11-20-8-6-5-7-17(20)2/h5-8,16,19H,4,9-15H2,1-3H3/p+1