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

Systemtic Name: 8-methyl-2-oxidanylidene-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 8-methyl-2-oxo-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 8-methyl-2-oxo-4-propyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 8-methyl-2-oxo-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-8-methyl-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCC3)[O-])C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCC3)[O-])C

InChI

InChI=1S/C18H23NO3/c1-3-6-13-10-16(20)22-18-12(2)17(21)14(9-15(13)18)11-19-7-4-5-8-19/h9-10,21H,3-8,11H2,1-2H3