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

Systemtic Name: decyl 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-methyl-2-[(3-methylphenoxy)methyl]-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-methyl-2-[(3-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(=C3)C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC(=C3)C)C

InChI

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