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

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]benzimidazol-1-ium-1-amine Openeye Name: N-[(1-benzylpyrrolidin-2-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)-2-pyrrolidinyl]methyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[(1-benzylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: (1-benzylpyrrolidin-2-yl)methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-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)NCC5CCCN5CC6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCN5CC6=CC=CC=C6

InChI

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