N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,4-dimethoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,4-dimethoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethoxy-benzenesulfonamide Formula: C21H27N2O6S+ MolecularWeight: 435.51388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4)OC

InChI

InChI=1S/C21H26N2O6S/c1-26-16-6-8-21(20(12-16)27-2)30(24,25)22-13-17(23-9-3-4-10-23)15-5-7-18-19(11-15)29-14-28-18/h5-8,11-12,17,22H,3-4,9-10,13-14H2,1-2H3/p+1/t17-/m1/s1