N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-methylthiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-methyl-2-thiazolyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-methylthiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-13-12-22-16(17-13)18-15(21)11-19-7-9-20(10-8-19)14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,18,21)/p+1