bis(2-methylpropyl)-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methyl]azanium Openeye Name: (3-hydroxy-6-oxo-benzo[c]chromen-4-yl)methyl-diisobutyl-ammonium CAS Name: (3-hydroxy-6-oxo-4-benzo[c][1]benzopyranyl)methyl-bis(2-methylpropyl)ammonium IUPAC Name: (3-hydroxy-6-oxobenzo[c]chromen-4-yl)methyl-bis(2-methylpropyl)azanium Traditional Name: (3-hydroxy-6-keto-benzo[c]chromen-4-yl)methyl-diisobutyl-ammonium Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O)CC(C)C

InChI

InChI=1S/C22H27NO3/c1-14(2)11-23(12-15(3)4)13-19-20(24)10-9-17-16-7-5-6-8-18(16)22(25)26-21(17)19/h5-10,14-15,24H,11-13H2,1-4H3/p+1