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

Systemtic Name: 1-(3-azanylpyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol chloride hydrochloride Openeye Name: 1-(3-aminopyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol chloride hydrochloride CAS Name: 1-(3-amino-1-pyridin-1-iumyl)-3-(4-nitrophenoxy)-2-propanol chloride hydrochloride IUPAC Name: 1-(3-aminopyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol chloride hydrochloride Traditional Name: 1-(3-aminopyridin-1-ium-1-yl)-3-(4-nitrophenoxy)propan-2-ol chloride hydrochloride Formula: C14H17Cl2N3O4 MolecularWeight: 362.20848

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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.Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C14H16N3O4.2ClH/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;2*1H/q+1;;/p-1