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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-13(2)10-22(11-14(3)4)12-18-19(23)9-8-16-15-6-5-7-17(15)21(24)25-20(16)18/h8-9,13-14,23H,5-7,10-12H2,1-4H3/p+1