6-chloranyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-4-propyl-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-4-propyl-chromen-7-olate Openeye Name: 6-chloro-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-4-propyl-chromen-7-olate CAS Name: 6-chloro-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-4-propyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-4-propylchromen-7-olate Traditional Name: 6-chloro-2-keto-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-propyl-chromen-7-olate Formula: C19H24ClNO3 MolecularWeight: 349.85176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCC(C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C19H24ClNO3/c1-3-5-13-8-17(22)24-19-14(13)9-16(20)18(23)15(19)11-21-7-4-6-12(2)10-21/h8-9,12,23H,3-7,10-11H2,1-2H3/t12-/m0/s1