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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H24N4O2S/c1-2-25(21-22-16-7-3-6-10-19(16)28-21)20(27)15-23-11-13-24(14-12-23)17-8-4-5-9-18(17)26/h3-10,26H,2,11-15H2,1H3/p+1