(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-(3-methylphenoxy)ethyl]azanium

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-(3-methylphenoxy)ethyl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-methyl-[2-(3-methylphenoxy)ethyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-(3-methylphenoxy)ethyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-methyl-[2-(3-methylphenoxy)ethyl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-methyl-[2-(3-methylphenoxy)ethyl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC(=C3)C

InChI

InChI=1S/C22H25NO3/c1-4-17-8-9-20-18(14-22(24)26-21(20)13-17)15-23(3)10-11-25-19-7-5-6-16(2)12-19/h5-9,12-14H,4,10-11,15H2,1-3H3/p+1