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

Systemtic Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=NC=CS3

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=NC=CS3

InChI

InChI=1S/C17H22N4OS/c1-13-3-5-15(6-4-13)21-9-8-20(11-14(21)2)12-16(22)19-17-18-7-10-23-17/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,18,19,22)/p+1/t14-/m0/s1