1-(octoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium

Systemtic Name: 1-(octoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium Openeye Name: 1-benzyl-3-(octoxymethyl)benzimidazol-1-ium CAS Name: 1-(octoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium IUPAC Name: 1-benzyl-3-(octoxymethyl)benzimidazol-1-ium Traditional Name: 1-benzyl-3-(octoxymethyl)benzimidazol-1-ium Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N2O/c1-2-3-4-5-6-12-17-26-20-25-19-24(18-21-13-8-7-9-14-21)22-15-10-11-16-23(22)25/h7-11,13-16,19H,2-6,12,17-18,20H2,1H3/q+1