1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-[[1-(phenylmethyl)pyrrolidin-3-yl]methyl]benzimidazol-1-ium-1-amine

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-[[1-(phenylmethyl)pyrrolidin-3-yl]methyl]benzimidazol-1-ium-1-amine Openeye Name: 5-[(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]-5-[[1-(phenylmethyl)-3-pyrrolidinyl]methyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-[(1-benzylpyrrolidin-3-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-[(1-benzylpyrrolidin-3-yl)methyl]benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)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=C3C=CC(=C4)CC5CCN(C5)CC6=CC=CC=C6)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CCN(C5)CC6=CC=CC=C6)N

InChI

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