1-[[4-[(2-azanylpyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-2-amine dichloride

Systemtic Name: 1-[[4-[(2-azanylpyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-2-amine dichloride Openeye Name: 1-[[4-[(2-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-2-amine dichloride CAS Name: 1-[[4-[(2-amino-1-pyridin-1-iumyl)methyl]-2,5-dimethoxyphenyl]methyl]-2-pyridin-1-iumamine dichloride IUPAC Name: 1-[[4-[(2-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxyphenyl]methyl]pyridin-1-ium-2-amine dichloride Traditional Name: [1-[4-[(2-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-benzyl]pyridin-1-ium-2-yl]amine dichloride Formula: C20H24Cl2N4O2 MolecularWeight: 423.33616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[N+]2=CC=CC=C2N)OC)C[N+]3=CC=CC=C3N.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1C[N+]2=CC=CC=C2N)OC)C[N+]3=CC=CC=C3N.[Cl-].[Cl-]

InChI

InChI=1S/C20H22N4O2.2ClH/c1-25-17-11-16(14-24-10-6-4-8-20(24)22)18(26-2)12-15(17)13-23-9-5-3-7-19(23)21;;/h3-12,21-22H,13-14H2,1-2H3;2*1H