7-(diethylamino)-3-(morpholin-4-ium-4-ylmethyl)chromen-2-one

Systemtic Name: 7-(diethylamino)-3-(morpholin-4-ium-4-ylmethyl)chromen-2-one Openeye Name: 7-(diethylamino)-3-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 7-(diethylamino)-3-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-3-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 7-(diethylamino)-3-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-20(4-2)16-6-5-14-11-15(18(21)23-17(14)12-16)13-19-7-9-22-10-8-19/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+1