(1-morpholin-4-ium-4-ylcyclohexyl)methyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: (1-morpholin-4-ium-4-ylcyclohexyl)methyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: (1-morpholin-4-ium-4-ylcyclohexyl)methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: [1-(4-morpholin-4-iumyl)cyclohexyl]methyl-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: (1-morpholin-4-ium-4-ylcyclohexyl)methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ammonium Formula: C25H32N2O3+2 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(C[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[NH+]5CCOCC5

InChI

InChI=1S/C25H30N2O3/c28-23-16-20(24-21-7-3-2-6-19(21)8-9-22(24)30-23)17-26-18-25(10-4-1-5-11-25)27-12-14-29-15-13-27/h2-3,6-9,16,26H,1,4-5,10-15,17-18H2/p+2