2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-nitro-pyridin-1-ium Formula: C18H20N3O4+ MolecularWeight: 342.3691

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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)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H19N3O4/c22-21(23)15-4-1-8-19-18(15)20-9-2-5-14(20)13-6-7-16-17(12-13)25-11-3-10-24-16/h1,4,6-8,12,14H,2-3,5,9-11H2/p+1/t14-/m1/s1