decyl 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-methyl-2-[(2-methylphenoxy)methyl]-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3C)C

InChI

InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-15-20-32-28(31)21-30-25-18-13-12-17-24(25)29(3)27(30)22-33-26-19-14-11-16-23(26)2/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1