(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium Formula: C22H32N2O4+2 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H30N2O4/c1-26-18-5-6-19-17(13-21(25)28-20(19)14-18)15-23-16-22(7-3-2-4-8-22)24-9-11-27-12-10-24/h5-6,13-14,23H,2-4,7-12,15-16H2,1H3/p+2