1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[[1-(phenylmethyl)pyrrolidin-3-yl]methyl]benzimidazol-1-ium-1-amine

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[[1-(phenylmethyl)pyrrolidin-3-yl]methyl]benzimidazol-1-ium-1-amine Openeye Name: N-[(1-benzylpyrrolidin-3-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-[[1-(phenylmethyl)-3-pyrrolidinyl]methyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[(1-benzylpyrrolidin-3-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: (1-benzylpyrrolidin-3-yl)methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C31H34N7+ MolecularWeight: 504.64856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCN(C5)CC6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCN(C5)CC6=CC=CC=C6

InChI

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