5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-(2-thienyl)oxazole CAS Name: 5-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-(2-thienyl)oxazole Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H20N4OS/c1-14-15(20-18(23-14)16-5-4-12-24-16)13-21-8-10-22(11-9-21)17-6-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3/p+1