ethyl 2-[2-cyclopropyl-6-[(1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-cyclopropyl-6-[(1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-cyclopropyl-6-[(1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-cyclopropyl-6-[(1-methyl-2-propyl-1-benzimidazol-1-iumyl)methyl]-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-cyclopropyl-6-[(1-methyl-2-propylbenzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-cyclopropyl-6-[(1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]benzimidazol-1-yl]acetic acid ethyl ester Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N=C(N4CC(=O)OCC)C5CC5

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N=C(N4CC(=O)OCC)C5CC5

InChI

InChI=1S/C26H31N4O2/c1-4-8-24-27-21-9-6-7-10-23(21)30(24,3)17-18-11-14-20-22(15-18)29(16-25(31)32-5-2)26(28-20)19-12-13-19/h6-7,9-11,14-15,19H,4-5,8,12-13,16-17H2,1-3H3/q+1