2-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole CAS Name: 2-[1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-4-piperidin-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N3O2S/c1-14-17(23-21(25-14)19-7-4-12-27-19)13-24-10-8-15(9-11-24)20-22-16-5-2-3-6-18(16)26-20/h2-7,12,15H,8-11,13H2,1H3/p+1