[4,8-dimethyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [4,8-dimethyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (3-benzyl-7-hydroxy-4,8-dimethyl-2-oxo-chromen-6-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [7-hydroxy-4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-6-yl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (3-benzyl-7-hydroxy-4,8-dimethyl-2-oxochromen-6-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4,8-dimethyl-chromen-6-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C25H32N2O4+2 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CC[NH+]3CCOCC3)O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CC[NH+]3CCOCC3)O)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O4/c1-17-21-15-20(16-26-8-9-27-10-12-30-13-11-27)23(28)18(2)24(21)31-25(29)22(17)14-19-6-4-3-5-7-19/h3-7,15,26,28H,8-14,16H2,1-2H3/p+2