2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium

Systemtic Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium CAS Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-nitro-pyridin-1-ium Formula: C17H18N3O4+ MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H17N3O4/c21-20(22)14-3-1-7-18-17(14)19-8-2-4-13(19)12-5-6-15-16(11-12)24-10-9-23-15/h1,3,5-7,11,13H,2,4,8-10H2/p+1/t13-/m1/s1