2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O5/c1-15-17(5-2-6-18(15)25(27)28)23-22(26)14-24-10-3-7-19(24)16-8-9-20-21(13-16)30-12-4-11-29-20/h2,5-6,8-9,13,19H,3-4,7,10-12,14H2,1H3,(H,23,26)/p+1/t19-/m0/s1