4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzamide Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)C(=O)N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=C(C=C2)C(=O)N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O3/c21-20(23)15-5-3-14(4-6-15)13-22-9-1-2-17(22)16-7-8-18-19(12-16)25-11-10-24-18/h3-8,12,17H,1-2,9-11,13H2,(H2,21,23)/p+1/t17-/m0/s1