N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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