(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methoxyethyl)-(phenylmethyl)azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methoxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-(2-methoxyethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-(2-methoxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-(2-methoxyethyl)azanium Traditional Name: benzyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-(2-methoxyethyl)ammonium Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CCOC)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CCOC)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO4/c1-3-17-11-19-18(12-22(25)27-21(19)13-20(17)24)15-23(9-10-26-2)14-16-7-5-4-6-8-16/h4-8,11-13,24H,3,9-10,14-15H2,1-2H3/p+1