4-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole

Systemtic Name: 4-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole Openeye Name: 4-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methyl-2-thienyl)oxazole CAS Name: 4-[[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-(3-methyl-2-thiophenyl)oxazole IUPAC Name: 4-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole Traditional Name: 4-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methyl-2-thienyl)oxazole Formula: C21H28N4OS+2 MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-14-5-10-27-20(14)21-23-19(17(4)26-21)13-24-6-8-25(9-7-24)18-11-15(2)22-16(3)12-18/h5,10-12H,6-9,13H2,1-4H3/p+2