5-morpholin-4-ylsulfonyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 5-morpholinosulfonyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-3-(1-piperidin-1-iumylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 5-morpholin-4-ylsulfonyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 5-morpholinosulfonyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Formula: C17H24N3O4S2+ MolecularWeight: 398.52016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C17H23N3O4S2/c21-26(22,19-8-10-23-11-9-19)14-4-5-16-15(12-14)20(17(25)24-16)13-18-6-2-1-3-7-18/h4-5,12H,1-3,6-11,13H2/p+1