6-chloranyl-3-[2-[dimethyl(octadecyl)azaniumyl]ethylcarbamoyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-3-[2-[dimethyl(octadecyl)azaniumyl]ethylcarbamoyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-3-[2-[dimethyl(octadecyl)ammonio]ethylcarbamoyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-3-[[2-[dimethyl(octadecyl)ammonio]ethylamino]-oxomethyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-[2-[dimethyl(octadecyl)azaniumyl]ethylcarbamoyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-3-[2-[dimethyl(stearyl)ammonio]ethylcarbamoyl]-2-keto-chromen-7-olate Formula: C32H51ClN2O4 MolecularWeight: 563.21134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)C1=CC2=CC(=C(C=C2OC1=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)C1=CC2=CC(=C(C=C2OC1=O)[O-])Cl

InChI

InChI=1S/C32H51ClN2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-35(2,3)22-20-34-31(37)27-23-26-24-28(33)29(36)25-30(26)39-32(27)38/h23-25H,4-22H2,1-3H3,(H-,34,36,37,38)