ethyl 2-[2-azanyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(3-methylphenoxy)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-3-25-19(24)14-23-18-10-5-4-9-17(18)22(20(23)21)11-12-26-16-8-6-7-15(2)13-16/h4-10,13,21H,3,11-12,14H2,1-2H3/p+1