N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine; N-methylmethanamine

Systemtic Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine; N-methylmethanamine Openeye Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine; N-methylmethanamine CAS Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine; N-methylmethanamine IUPAC Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine; N-methylmethanamine Traditional Name: dimethylamine; neopentyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C26H36N7+ MolecularWeight: 446.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC(C)(C)C.CNC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC(C)(C)C.CNC

InChI

InChI=1S/C24H29N6.C2H7N/c1-18(19-10-6-5-7-11-19)28-23-25-15-14-22(29-23)30(27-16-24(2,3)4)17-26-20-12-8-9-13-21(20)30;1-3-2/h5-15,17-18,27H,16H2,1-4H3,(H,25,28,29);3H,1-2H3/q+1;