(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)azanium

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[2-methyl-2-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium Formula: C20H30N2O3+2 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C)(C)[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C)(C)[NH+]3CCOCC3

InChI

InChI=1S/C20H28N2O3/c1-4-15-5-6-17-16(12-19(23)25-18(17)11-15)13-21-14-20(2,3)22-7-9-24-10-8-22/h5-6,11-12,21H,4,7-10,13-14H2,1-3H3/p+2