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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium Formula: C22H31ClN2O3+2 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC3(CCCCC3)[NH+]4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC3(CCCCC3)[NH+]4CCOCC4)Cl

InChI

InChI=1S/C22H29ClN2O3/c1-16-11-20-18(13-19(16)23)17(12-21(26)28-20)14-24-15-22(5-3-2-4-6-22)25-7-9-27-10-8-25/h11-13,24H,2-10,14-15H2,1H3/p+2