ethyl 2-[2-azanyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C23H29N3O3/c1-5-28-21(27)16-26-20-9-7-6-8-19(20)25(22(26)24)14-15-29-18-12-10-17(11-13-18)23(2,3)4/h6-13,24H,5,14-16H2,1-4H3/p+1