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

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 6-chloro-3-hexyl-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 6-chloro-3-hexyl-4-methyl-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-hexyl-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 6-chloro-3-hexyl-2-keto-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC3)[O-])Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC3)[O-])Cl)C

InChI

InChI=1S/C21H28ClNO3/c1-3-4-5-6-9-15-14(2)16-12-18(22)19(24)17(20(16)26-21(15)25)13-23-10-7-8-11-23/h12,24H,3-11,13H2,1-2H3