2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-4-6-16(12-18(14)24(26)27)22-21(25)13-23-8-2-3-17(23)15-5-7-19-20(11-15)29-10-9-28-19/h4-7,11-12,17H,2-3,8-10,13H2,1H3,(H,22,25)/p+1/t17-/m0/s1