3-methyl-2-oxidanylidene-N-[[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-N-[[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide Openeye Name: 3-methyl-2-oxo-N-[[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-2-oxo-N-[[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazole-6-sulfonamide IUPAC Name: 3-methyl-2-oxo-N-[[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-methyl-N-[[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3CC[NH+](C3)CCC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC[C@@H]3CC[NH+](C3)CCC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C21H25N3O4S/c1-23-19-8-7-18(13-20(19)28-21(23)25)29(26,27)22-14-17-10-12-24(15-17)11-9-16-5-3-2-4-6-16/h2-8,13,17,22H,9-12,14-15H2,1H3/p+1/t17-/m0/s1