N,N-diethyl-2-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[2-(p-tolyl)thiazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[2-(4-methylphenyl)-4-thiazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[2-(p-tolyl)thiazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CSC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CSC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O2S/c1-4-24(5-2)19(26)14-23-10-12-25(13-11-23)21(27)18-15-28-20(22-18)17-8-6-16(3)7-9-17/h6-9,15H,4-5,10-14H2,1-3H3/p+1