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

Systemtic Name: 1-[[4-[(3-azanylpyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-3-amine Openeye Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-phenyl]methyl]pyridin-1-ium-3-amine CAS Name: 1-[[4-[(3-amino-1-pyridin-1-iumyl)methyl]-2,5-dimethoxyphenyl]methyl]-3-pyridin-1-iumamine IUPAC Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxyphenyl]methyl]pyridin-1-ium-3-amine Traditional Name: [1-[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethoxy-benzyl]pyridin-1-ium-3-yl]amine Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2/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/q+2