1-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]dodecan-2-one chloride

Systemtic Name: 1-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]dodecan-2-one chloride Openeye Name: 1-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]dodecan-2-one chloride CAS Name: 1-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-iumyl]-2-dodecanone chloride IUPAC Name: 1-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]dodecan-2-one chloride Traditional Name: 1-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]dodecan-2-one chloride Formula: C27H37ClN2O2 MolecularWeight: 457.04788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N2O2.ClH/c1-3-4-5-6-7-8-9-11-16-23(30)21-29-26-20-15-14-19-25(26)28(2)27(29)22-31-24-17-12-10-13-18-24;/h10,12-15,17-20H,3-9,11,16,21-22H2,1-2H3;1H/q+1;/p-1