1-[[4-[(3-azanylpyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-3-amine dichloride

Systemtic Name: 1-[[4-[(3-azanylpyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-3-amine dichloride Openeye Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-3-amine dichloride CAS Name: 1-[[4-[(3-amino-1-pyridin-1-iumyl)methyl]-2,5-dimethoxyphenyl]methyl]-3-pyridin-1-iumamine dichloride IUPAC Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxyphenyl]methyl]pyridin-1-ium-3-amine dichloride Traditional Name: [1-[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-benzyl]pyridin-1-ium-3-yl]amine dichloride Formula: C20H24Cl2N4O2 MolecularWeight: 423.33616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[N+]2=CC=CC(=C2)N)OC)C[N+]3=CC=CC(=C3)N.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1C[N+]2=CC=CC(=C2)N)OC)C[N+]3=CC=CC(=C3)N.[Cl-].[Cl-]

InChI

InChI=1S/C20H24N4O2.2ClH/c1-25-19-9-16(12-24-8-4-6-18(22)14-24)20(26-2)10-15(19)11-23-7-3-5-17(21)13-23;;/h3-10,13-14H,11-12,21-22H2,1-2H3;2*1H/q+2;;/p-2