3-methyl-2-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-2-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C20H23N3O4S/c1-22-18-8-7-17(13-19(18)27-20(22)24)28(25,26)21-16-9-11-23(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14H2,1H3/p+1