2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-thiomorpholin-4-yl-1-piperidin-1-iumyl)methyl]oxazole IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]oxazole Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCC(CC4)N5CCSCC5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCC(CC4)N5CCSCC5

InChI

InChI=1S/C22H29N3O4S/c1-15-18(13-24-5-3-17(4-6-24)25-7-9-30-10-8-25)23-22(29-15)16-11-19(26-2)21-20(12-16)27-14-28-21/h11-12,17H,3-10,13-14H2,1-2H3/p+1