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

Systemtic Name: 1-[[4-[(3-azanylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-amine dichloride Openeye Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-amine dichloride CAS Name: 1-[[4-[(3-amino-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumamine dichloride IUPAC Name: 1-[[4-[(3-aminopyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-amine dichloride Traditional Name: [1-[4-[(3-aminopyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-yl]amine dichloride Formula: C18H20Cl2N4 MolecularWeight: 363.2842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)N)N.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)N)N.[Cl-].[Cl-]

InChI

InChI=1S/C18H20N4.2ClH/c19-17-3-1-9-21(13-17)11-15-5-7-16(8-6-15)12-22-10-2-4-18(20)14-22;;/h1-10,13-14H,11-12,19-20H2;2*1H/q+2;;/p-2