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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC[NH+]3CCOCC3)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC[NH+]3CCOCC3)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O4/c1-18-20-8-9-23(28)22(17-26-10-5-11-27-12-14-30-15-13-27)24(20)31-25(29)21(18)16-19-6-3-2-4-7-19/h2-4,6-9,26,28H,5,10-17H2,1H3/p+2