diethyl-[2-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]methylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]methylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: 2-[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)methylamino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]methylamino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: 2-[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)methylamino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)methylamino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C28H34N6+2 MolecularWeight: 454.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NCC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NCC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H32N6/c1-3-32(4-2)18-19-33-25-16-10-9-15-24(25)31-28(33)29-20-27-30-23-14-8-11-17-26(23)34(27)21-22-12-6-5-7-13-22/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)/p+2