3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C

InChI

InChI=1S/C26H36N2O3/c1-19-9-10-21-20(2)22(25(30)31-23(21)17-19)11-12-24(29)27-18-26(13-5-3-6-14-26)28-15-7-4-8-16-28/h9-10,17H,3-8,11-16,18H2,1-2H3,(H,27,29)/p+1