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

Systemtic Name: decyl 2-[3-(2-decoxy-2-oxidanylidene-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-(2-decoxy-2-oxo-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-(2-decoxy-2-oxoethyl)-2-methyl-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-(2-decoxy-2-oxoethyl)-2-methylbenzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-(2-decoxy-2-keto-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C32H53N2O4+ MolecularWeight: 529.77422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H53N2O4/c1-4-6-8-10-12-14-16-20-24-37-31(35)26-33-28(3)34(30-23-19-18-22-29(30)33)27-32(36)38-25-21-17-15-13-11-9-7-5-2/h18-19,22-23H,4-17,20-21,24-27H2,1-3H3/q+1