6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 6-chloro-3-hexyl-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 6-chloro-3-hexyl-4-methyl-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-hexyl-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 6-chloro-3-hexyl-2-keto-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCCC3)[O-])Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCCC3)[O-])Cl)C

InChI

InChI=1S/C22H30ClNO3/c1-3-4-5-7-10-16-15(2)17-13-19(23)20(25)18(21(17)27-22(16)26)14-24-11-8-6-9-12-24/h13,25H,3-12,14H2,1-2H3