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

Systemtic Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Openeye Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide CAS Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]benzamide IUPAC Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Traditional Name: dimethylamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Formula: C28H30N7O+ MolecularWeight: 480.5841

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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)NC(=O)C5=CC=CC=C5.CNC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)C5=CC=CC=C5.CNC

InChI

InChI=1S/C26H22N6O.C2H7N/c1-19(20-10-4-2-5-11-20)29-26-27-17-16-24(30-26)32(18-28-22-14-8-9-15-23(22)32)31-25(33)21-12-6-3-7-13-21;1-3-2/h2-19H,1H3,(H-,27,29,30,31,33);3H,1-2H3/p+1