decyl 2-[3-(2-decoxy-2-oxidanylidene-ethyl)benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[3-(2-decoxy-2-oxidanylidene-ethyl)benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-(2-decoxy-2-oxo-ethyl)benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-(2-decoxy-2-oxoethyl)-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-(2-decoxy-2-oxoethyl)benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-(2-decoxy-2-keto-ethyl)benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C31H51N2O4+ MolecularWeight: 515.74764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CN1C=[N+](C2=CC=CC=C21)CC(=O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C=[N+](C2=CC=CC=C21)CC(=O)OCCCCCCCCCC

InChI

InChI=1S/C31H51N2O4/c1-3-5-7-9-11-13-15-19-23-36-30(34)25-32-27-33(29-22-18-17-21-28(29)32)26-31(35)37-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,27H,3-16,19-20,23-26H2,1-2H3/q+1