[1-[[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[(7-ethyl-2-oxo-chromen-4-yl)methylammonio]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylammonio]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[(7-ethyl-2-oxochromen-4-yl)methylazaniumyl]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[(7-ethyl-2-keto-chromen-4-yl)methylammonio]methyl]cyclohexyl]-dimethyl-ammonium Formula: C21H32N2O2+2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3(CCCCC3)[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3(CCCCC3)[NH+](C)C

InChI

InChI=1S/C21H30N2O2/c1-4-16-8-9-18-17(13-20(24)25-19(18)12-16)14-22-15-21(23(2)3)10-6-5-7-11-21/h8-9,12-13,22H,4-7,10-11,14-15H2,1-3H3/p+2