3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-(4-morpholinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C18H26N3O4S2+ MolecularWeight: 412.54674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

CC1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C18H25N3O4S2/c1-14-4-6-19(7-5-14)13-21-16-12-15(2-3-17(16)25-18(21)26)27(22,23)20-8-10-24-11-9-20/h2-3,12,14H,4-11,13H2,1H3/p+1