ethyl-[3-(3-methylbutanoylamino)-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: ethyl-[3-(3-methylbutanoylamino)-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: ethyl-[2-hydroxy-3-(3-methylbutanoylamino)chromen-4-ylidene]ammonium CAS Name: ethyl-[2-hydroxy-3-[(3-methyl-1-oxobutyl)amino]-1-benzopyran-4-ylidene]ammonium IUPAC Name: ethyl-[2-hydroxy-3-(3-methylbutanoylamino)chromen-4-ylidene]azanium Traditional Name: ethyl-[2-hydroxy-3-(isovalerylamino)chromen-4-ylidene]ammonium Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)CC(C)C)O

Isomeric SMILES

CC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)CC(C)C)O

InChI

InChI=1S/C16H20N2O3/c1-4-17-14-11-7-5-6-8-12(11)21-16(20)15(14)18-13(19)9-10(2)3/h5-8,10,20H,4,9H2,1-3H3,(H,18,19)/p+1