[1-(octoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium-2-yl]-phenyl-methanol chloride

Systemtic Name: [1-(octoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium-2-yl]-phenyl-methanol chloride Openeye Name: [1-benzyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-phenyl-methanol chloride CAS Name: [1-(octoxymethyl)-3-(phenylmethyl)-2-benzimidazol-3-iumyl]-phenylmethanol chloride IUPAC Name: [1-benzyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-phenylmethanol chloride Traditional Name: [1-benzyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-phenyl-methanol chloride Formula: C30H37ClN2O2 MolecularWeight: 493.07998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C2=CC=CC=C2[N+](=C1C(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCCCCCCOCN1C2=CC=CC=C2[N+](=C1C(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H37N2O2.ClH/c1-2-3-4-5-6-15-22-34-24-32-28-21-14-13-20-27(28)31(23-25-16-9-7-10-17-25)30(32)29(33)26-18-11-8-12-19-26;/h7-14,16-21,29,33H,2-6,15,22-24H2,1H3;1H/q+1;/p-1