6-nitro-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H22N3O5+ MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O5/c24-20(16-10-18-19(28-9-8-27-18)11-17(16)23(25)26)21-15-6-7-22(13-15)12-14-4-2-1-3-5-14/h1-5,10-11,15H,6-9,12-13H2,(H,21,24)/p+1/t15-/m1/s1