(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium Formula: C23H34N2O3+2 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3(CCCCC3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3(CCCCC3)[NH+]4CCOCC4)C

InChI

InChI=1S/C23H32N2O3/c1-17-6-7-20-19(14-21(26)28-22(20)18(17)2)15-24-16-23(8-4-3-5-9-23)25-10-12-27-13-11-25/h6-7,14,24H,3-5,8-13,15-16H2,1-2H3/p+2