ethyl 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-acetate CAS Name: 2-[4-[[2-butyl-1-[[dimethylamino(oxo)methyl]amino]-1-benzimidazol-1-iumyl]methyl]-2-methoxyphenoxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxyphenoxy]-2-phenylacetate Traditional Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-acetic acid ethyl ester Formula: C32H39N4O5+ MolecularWeight: 559.67586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC(=C(C=C3)OC(C4=CC=CC=C4)C(=O)OCC)OC)NC(=O)N(C)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC(=C(C=C3)OC(C4=CC=CC=C4)C(=O)OCC)OC)NC(=O)N(C)C

InChI

InChI=1S/C32H38N4O5/c1-6-8-18-29-33-25-16-12-13-17-26(25)36(29,34-32(38)35(3)4)22-23-19-20-27(28(21-23)39-5)41-30(31(37)40-7-2)24-14-10-9-11-15-24/h9-17,19-21,30H,6-8,18,22H2,1-5H3/p+1