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

Systemtic Name: [1-(nonoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium-2-yl]-phenyl-methanol chloride Openeye Name: [1-benzyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-phenyl-methanol chloride CAS Name: [1-(nonoxymethyl)-3-(phenylmethyl)-2-benzimidazol-3-iumyl]-phenylmethanol chloride IUPAC Name: [1-benzyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-phenylmethanol chloride Traditional Name: [1-benzyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-phenyl-methanol chloride Formula: C31H39ClN2O2 MolecularWeight: 507.10656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1C(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1C(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H39N2O2.ClH/c1-2-3-4-5-6-7-16-23-35-25-33-29-22-15-14-21-28(29)32(24-26-17-10-8-11-18-26)31(33)30(34)27-19-12-9-13-20-27;/h8-15,17-22,30,34H,2-7,16,23-25H2,1H3;1H/q+1;/p-1