dibutyl-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]azanium

Systemtic Name: dibutyl-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]azanium Openeye Name: dibutyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium CAS Name: dibutyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methyl]ammonium IUPAC Name: dibutyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]azanium Traditional Name: dibutyl-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O

InChI

InChI=1S/C21H29NO3/c1-3-5-12-22(13-6-4-2)14-18-19(23)11-10-16-15-8-7-9-17(15)21(24)25-20(16)18/h10-11,23H,3-9,12-14H2,1-2H3/p+1