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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]azanium Traditional Name: (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium Formula: C25H38N2O3+2 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-18(2)21-15-22-20(14-24(28)30-23(22)13-19(21)3)16-26-17-25(7-5-4-6-8-25)27-9-11-29-12-10-27/h13-15,18,26H,4-12,16-17H2,1-3H3/p+2