N,N-dimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-dimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C16H24N3O3S2+ MolecularWeight: 370.51006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-12-6-8-18(9-7-12)11-19-14-10-13(24(20,21)17(2)3)4-5-15(14)22-16(19)23/h4-5,10,12H,6-9,11H2,1-3H3/p+1