bis(azanyl)methylidene-[(4S)-4-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylazaniumyl]-5-methoxy-5-oxidanylidene-pentyl]azanium

Systemtic Name: bis(azanyl)methylidene-[(4S)-4-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylazaniumyl]-5-methoxy-5-oxidanylidene-pentyl]azanium Openeye Name: (3-acetyl-7-hydroxy-2-oxo-chromen-5-yl)methyl-[(1S)-4-(diaminomethyleneammonio)-1-methoxycarbonyl-butyl]ammonium CAS Name: (3-acetyl-7-hydroxy-2-oxo-1-benzopyran-5-yl)methyl-[(2S)-5-(diaminomethylideneammonio)-1-methoxy-1-oxopentan-2-yl]ammonium IUPAC Name: (3-acetyl-7-hydroxy-2-oxochromen-5-yl)methyl-[(2S)-5-(diaminomethylideneazaniumyl)-1-methoxy-1-oxopentan-2-yl]azanium Traditional Name: (3-acetyl-7-hydroxy-2-keto-chromen-5-yl)methyl-[(1S)-1-carbomethoxy-4-(diaminomethyleneammonio)butyl]ammonium Formula: C19H26N4O6+2 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C(C=C2C[NH2+]C(CCC[NH+]=C(N)N)C(=O)OC)O)OC1=O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C(C=C2C[NH2+][C@@H](CCC[NH+]=C(N)N)C(=O)OC)O)OC1=O

InChI

InChI=1S/C19H24N4O6/c1-10(24)13-8-14-11(6-12(25)7-16(14)29-17(13)26)9-23-15(18(27)28-2)4-3-5-22-19(20)21/h6-8,15,23,25H,3-5,9H2,1-2H3,(H4,20,21,22)/p+2/t15-/m0/s1