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

Systemtic Name: decyl 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: decyl 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-iumyl]acetic acid decyl ester chloride IUPAC Name: decyl 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetic acid decyl ester chloride Formula: C27H37ClN2O3 MolecularWeight: 473.04728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N2O3.ClH/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23;/h10-14,16-19H,3-9,15,20-22H2,1-2H3;1H/q+1;/p-1