5-methyl-2-(3-phenoxyphenyl)-4-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]oxazole CAS Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-thiomorpholin-4-yl-1-piperidin-1-iumyl)methyl]oxazole IUPAC Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]oxazole Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCC(CC4)N5CCSCC5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCC(CC4)N5CCSCC5

InChI

InChI=1S/C26H31N3O2S/c1-20-25(19-28-12-10-22(11-13-28)29-14-16-32-17-15-29)27-26(30-20)21-6-5-9-24(18-21)31-23-7-3-2-4-8-23/h2-9,18,22H,10-17,19H2,1H3/p+1