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

Systemtic Name: decyl 2-[3-(2-decoxy-2-oxidanylidene-ethyl)-2-ethyl-benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-(2-decoxy-2-oxo-ethyl)-2-ethyl-benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-(2-decoxy-2-oxoethyl)-2-ethyl-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-(2-decoxy-2-oxoethyl)-2-ethylbenzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-(2-decoxy-2-keto-ethyl)-2-ethyl-benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C33H55N2O4+ MolecularWeight: 543.8008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1CC)CC(=O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1CC)CC(=O)OCCCCCCCCCC

InChI

InChI=1S/C33H55N2O4/c1-4-7-9-11-13-15-17-21-25-38-32(36)27-34-29-23-19-20-24-30(29)35(31(34)6-3)28-33(37)39-26-22-18-16-14-12-10-8-5-2/h19-20,23-24H,4-18,21-22,25-28H2,1-3H3/q+1