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

Systemtic Name: methyl-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]-methyl-ammonium CAS Name: (7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]-methylazanium Traditional Name: benzyl-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]-methyl-ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCC4)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCC4)O

InChI

InChI=1S/C21H21NO3/c1-22(12-14-6-3-2-4-7-14)13-18-19(23)11-10-16-15-8-5-9-17(15)21(24)25-20(16)18/h2-4,6-7,10-11,23H,5,8-9,12-13H2,1H3/p+1