1-(3-azanylpyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-(3-azanylpyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-(3-aminopyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-(3-amino-1-pyridin-1-iumyl)-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-(3-aminopyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-(3-aminopyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)N

InChI

InChI=1S/C14H16N3O4/c15-11-2-1-7-16(8-11)9-13(18)10-21-14-5-3-12(4-6-14)17(19)20/h1-8,13,18H,9-10,15H2/q+1