(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C18H26N2O3+2 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC[NH+]3CCOCC3)C

InChI

InChI=1S/C18H24N2O3/c1-13-3-4-16-15(11-17(21)23-18(16)14(13)2)12-19-5-6-20-7-9-22-10-8-20/h3-4,11,19H,5-10,12H2,1-2H3/p+2