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

Systemtic Name: ethyl 2-[4-[(1-azanyl-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenoxy]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[(1-amino-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenoxy]-2-phenyl-acetate CAS Name: 2-[4-[(1-amino-2-butyl-1-benzimidazol-1-iumyl)methyl]phenoxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1-amino-2-butylbenzimidazol-1-ium-1-yl)methyl]phenoxy]-2-phenylacetate Traditional Name: 2-[4-[(1-amino-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenoxy]-2-phenyl-acetic acid ethyl ester Formula: C28H32N3O3+ MolecularWeight: 458.57198

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C28H32N3O3/c1-3-5-15-26-30-24-13-9-10-14-25(24)31(26,29)20-21-16-18-23(19-17-21)34-27(28(32)33-4-2)22-11-7-6-8-12-22/h6-14,16-19,27H,3-5,15,20,29H2,1-2H3/q+1