4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methyl-2-thienyl)oxazole CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-(3-methyl-2-thiophenyl)oxazole IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methyl-2-thienyl)oxazole Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N4OS2/c1-14-7-12-27-19(14)20-22-17(15(2)26-20)13-24-8-10-25(11-9-24)21-23-16-5-3-4-6-18(16)28-21/h3-7,12H,8-11,13H2,1-2H3/p+1