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

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(piperidin-2-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(2-piperidylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-(2-piperidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(piperidin-2-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-(2-piperidylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)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=C3C=CC(=C4)CC5CCCCN5)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CCCCN5)N

InChI

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