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

Systemtic Name: 1-[[4-[(3-azanylpyridin-1-ium-1-yl)methyl]-2,5-dimethyl-phenyl]methyl]pyridin-1-ium-3-amine dichloride Openeye Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethyl-phenyl]methyl]pyridin-1-ium-3-amine dichloride CAS Name: 1-[[4-[(3-amino-1-pyridin-1-iumyl)methyl]-2,5-dimethylphenyl]methyl]-3-pyridin-1-iumamine dichloride IUPAC Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethylphenyl]methyl]pyridin-1-ium-3-amine dichloride Traditional Name: [1-[4-[(3-aminopyridin-1-ium-1-yl)methyl]-2,5-dimethyl-benzyl]pyridin-1-ium-3-yl]amine dichloride Formula: C20H24Cl2N4 MolecularWeight: 391.33736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[N+]2=CC=CC(=C2)N)C)C[N+]3=CC=CC(=C3)N.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1C[N+]2=CC=CC(=C2)N)C)C[N+]3=CC=CC(=C3)N.[Cl-].[Cl-]

InChI

InChI=1S/C20H24N4.2ClH/c1-15-9-18(12-24-8-4-6-20(22)14-24)16(2)10-17(15)11-23-7-3-5-19(21)13-23;;/h3-10,13-14H,11-12,21-22H2,1-2H3;2*1H/q+2;;/p-2