4,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine

Systemtic Name: 4,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine Openeye Name: 4,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine CAS Name: 4,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]methyl]-2-pyrimidinamine IUPAC Name: 4,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]amine Formula: C18H28N6+2 MolecularWeight: 328.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC2=C([NH+]=CC=C2)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCC2=C([NH+]=CC=C2)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C18H26N6/c1-14-12-15(2)22-18(21-14)20-13-16-6-4-7-19-17(16)24-9-5-8-23(3)10-11-24/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,20,21,22)/p+2