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

Systemtic Name: [4,8-dimethyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-6-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (3-benzyl-7-hydroxy-4,8-dimethyl-2-oxo-chromen-6-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [7-hydroxy-4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-6-yl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-benzyl-7-hydroxy-4,8-dimethyl-2-oxochromen-6-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4,8-dimethyl-chromen-6-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C26H34N2O4+2 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4/c1-18-22-16-21(17-27-9-6-10-28-11-13-31-14-12-28)24(29)19(2)25(22)32-26(30)23(18)15-20-7-4-3-5-8-20/h3-5,7-8,16,27,29H,6,9-15,17H2,1-2H3/p+2