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

Systemtic Name: decyl 2-[2-[(4-chloranylphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[2-[(4-chlorophenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C27H36ClN2O3+ MolecularWeight: 472.03934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN2O3/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/q+1