N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c1-17(15-12(18(19)20)5-4-8-16-15)9-11-10-21-13-6-2-3-7-14(13)22-11/h2-8,11H,9-10H2,1H3/p+1/t11-/m0/s1