2-[(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]ethyl-dimethyl-octadecyl-azanium

Systemtic Name: 2-[(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]ethyl-dimethyl-octadecyl-azanium Openeye Name: 2-[(6-chloro-7-hydroxy-2-oxo-chromene-3-carbonyl)amino]ethyl-dimethyl-octadecyl-ammonium CAS Name: 2-[[(6-chloro-7-hydroxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]ethyl-dimethyl-octadecylammonium IUPAC Name: 2-[(6-chloro-7-hydroxy-2-oxochromene-3-carbonyl)amino]ethyl-dimethyl-octadecylazanium Traditional Name: 2-[(6-chloro-7-hydroxy-2-keto-chromene-3-carbonyl)amino]ethyl-dimethyl-stearyl-ammonium Formula: C32H52ClN2O4+ MolecularWeight: 564.21928

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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)/p+1