6-ethyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 6-ethyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-4-phenyl-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-4-phenylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-4-phenyl-coumarin Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCOCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCOCC4)O

InChI

InChI=1S/C22H23NO4/c1-2-15-12-18-17(16-6-4-3-5-7-16)13-20(24)27-22(18)19(21(15)25)14-23-8-10-26-11-9-23/h3-7,12-13,25H,2,8-11,14H2,1H3/p+1