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

Systemtic Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide CAS Name: N-[4-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H20N4O2S/c1-12(21)17-16-18-13(11-23-16)10-19-6-8-20(9-7-19)14-2-4-15(22)5-3-14/h2-5,11,22H,6-10H2,1H3,(H,17,18,21)/p+1