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

Systemtic Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide Openeye Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide CAS Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]butanamide IUPAC Name: N-methylmethanamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide Traditional Name: dimethylamine; N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butyramide Formula: C25H32N7O+ MolecularWeight: 446.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4.CNC

Isomeric SMILES

CCCC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4.CNC

InChI

InChI=1S/C23H24N6O.C2H7N/c1-3-9-22(30)28-29(16-25-19-12-7-8-13-20(19)29)21-14-15-24-23(27-21)26-17(2)18-10-5-4-6-11-18;1-3-2/h4-8,10-17H,3,9H2,1-2H3,(H-,24,26,27,28,30);3H,1-2H3/p+1