N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCCC4

InChI

InChI=1S/C21H26N2O5S/c1-26-19-8-4-3-7-17(19)18(23-11-5-2-6-12-23)14-22-29(24,25)16-9-10-20-21(13-16)28-15-27-20/h3-4,7-10,13,18,22H,2,5-6,11-12,14-15H2,1H3/p+1/t18-/m0/s1