1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenylpiperidin-4-yl)methyl]benzimidazol-1-ium-1-amine

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenylpiperidin-4-yl)methyl]benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenyl-4-piperidyl)methyl]benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-[(4-phenyl-4-piperidinyl)methyl]-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenylpiperidin-4-yl)methyl]benzimidazol-1-ium-1-amine Traditional Name: 1-phenylethyl-[4-[1-[(4-phenyl-4-piperidyl)methylamino]benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amine Formula: C31H34N7+ MolecularWeight: 504.64856

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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)NCC5(CCNCC5)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5(CCNCC5)C6=CC=CC=C6

InChI

InChI=1S/C31H34N7/c1-24(25-10-4-2-5-11-25)36-30-33-19-16-29(37-30)38(23-34-27-14-8-9-15-28(27)38)35-22-31(17-20-32-21-18-31)26-12-6-3-7-13-26/h2-16,19,23-24,32,35H,17-18,20-22H2,1H3,(H,33,36,37)/q+1