decyl 2-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate chloride

Systemtic Name: decyl 2-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: decyl 2-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[3-methyl-2-[(4-methylphenoxy)methyl]-1-benzimidazol-3-iumyl]acetic acid decyl ester chloride IUPAC Name: decyl 2-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetic acid decyl ester chloride Formula: C28H39ClN2O3 MolecularWeight: 487.07386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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