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

Systemtic Name: decyl 2-[2-[(4-chloranylphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: decyl 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimidazol-3-iumyl]acetic acid decyl ester chloride IUPAC Name: decyl 2-[2-[(4-chlorophenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid decyl ester chloride Formula: C27H36Cl2N2O3 MolecularWeight: 507.49234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN2O3.ClH/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23;/h10-11,13-18H,3-9,12,19-21H2,1-2H3;1H/q+1;/p-1