[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(7-ethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(7-ethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(7-ethyl-2-keto-chromen-4-yl)methyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C3CCCC(C3C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+][C@H]3CCC[C@@H]([C@@H]3C)C

InChI

InChI=1S/C20H27NO2/c1-4-15-8-9-17-16(11-20(22)23-19(17)10-15)12-21-18-7-5-6-13(2)14(18)3/h8-11,13-14,18,21H,4-7,12H2,1-3H3/p+1/t13-,14-,18-/m0/s1