decyl 2-[3-methyl-2-(naphthalen-2-yloxymethyl)benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[3-methyl-2-(naphthalen-2-yloxymethyl)benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-methyl-2-(2-naphthyloxymethyl)benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-methyl-2-(2-naphthalenyloxymethyl)-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-methyl-2-(naphthalen-2-yloxymethyl)benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-methyl-2-(2-naphthoxymethyl)benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C31H39N2O3+ MolecularWeight: 487.65296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C31H39N2O3/c1-3-4-5-6-7-8-9-14-21-35-31(34)23-33-29-18-13-12-17-28(29)32(2)30(33)24-36-27-20-19-25-15-10-11-16-26(25)22-27/h10-13,15-20,22H,3-9,14,21,23-24H2,1-2H3/q+1