1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(piperidin-3-ylmethyl)benzimidazol-1-ium-1-amine

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(piperidin-3-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(3-piperidylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(3-piperidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(piperidin-3-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: 1-phenylethyl-[4-[1-(3-piperidylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amine Formula: C25H30N7+ MolecularWeight: 428.5526

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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)NCC5CCCNC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCNC5

InChI

InChI=1S/C25H30N7/c1-19(21-9-3-2-4-10-21)30-25-27-15-13-24(31-25)32(29-17-20-8-7-14-26-16-20)18-28-22-11-5-6-12-23(22)32/h2-6,9-13,15,18-20,26,29H,7-8,14,16-17H2,1H3,(H,27,30,31)/q+1