2-[4-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-2-thiazolyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-N-(p-tolyl)acetamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H26N4O2S/c1-15-2-6-17(7-3-15)22-19(26)12-20-23-18(14-28-20)13-24-8-10-25(11-9-24)21(27)16-4-5-16/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,22,26)/p+1