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

Systemtic Name: decyl 2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: decyl 2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-1-benzimidazol-3-iumyl]acetic acid decyl ester chloride IUPAC Name: decyl 2-[2-[(3-methoxyphenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid decyl ester chloride Formula: C28H39ClN2O4 MolecularWeight: 503.07326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N2O4.ClH/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3;/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3;1H/q+1;/p-1