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

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H16N3O4+ MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c1-10(17-15-12(18(19)20)3-2-6-16-15)11-4-5-13-14(9-11)22-8-7-21-13/h2-6,9-10H,7-8H2,1H3,(H,16,17)/p+1/t10-/m1/s1