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

Systemtic Name: 5-methyl-2-(3-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(3-methyl-2-thienyl)-4-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-methyl-2-(3-methyl-2-thiophenyl)-4-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(3-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(3-methyl-2-thienyl)-4-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C20H24N4OS/c1-15-6-12-26-19(15)20-22-18(16(2)25-20)14-24-10-8-23(9-11-24)13-17-5-3-4-7-21-17/h3-7,12H,8-11,13-14H2,1-2H3/p+1