N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C18H23N3O5S/c1-12-18(13(2)26-20-12)27(22,23)19-10-15(21-7-3-4-8-21)14-5-6-16-17(9-14)25-11-24-16/h5-6,9,15,19H,3-4,7-8,10-11H2,1-2H3/p+1/t15-/m0/s1