5-(morpholin-2-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: 5-(morpholin-2-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 5-(morpholin-2-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 5-(2-morpholinylmethyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-(morpholin-2-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-(morpholin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C24H28N7O+ MolecularWeight: 430.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CNCCO5)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CNCCO5)N

InChI

InChI=1S/C24H28N7O/c1-17(19-5-3-2-4-6-19)29-24-27-10-9-23(30-24)31(25)16-28-21-14-18(7-8-22(21)31)13-20-15-26-11-12-32-20/h2-10,14,16-17,20,26H,11-13,15,25H2,1H3,(H,27,29,30)/q+1