[(1S,2S)-2-methylcyclohexyl]-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: [(1S,2S)-2-methylcyclohexyl]-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: [(1S,2S)-2-methylcyclohexyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: [(1S,2S)-2-methylcyclohexyl]-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: [(1S,2S)-2-methylcyclohexyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23NO2/c1-14-6-2-5-9-18(14)22-13-16-12-20(23)24-19-11-10-15-7-3-4-8-17(15)21(16)19/h3-4,7-8,10-12,14,18,22H,2,5-6,9,13H2,1H3/p+1/t14-,18-/m0/s1