7-methyl-2-oxidanylidene-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate

Systemtic Name: 7-methyl-2-oxidanylidene-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Openeye Name: 7-methyl-2-oxo-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate CAS Name: 7-methyl-2-oxo-4-propyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-5-olate IUPAC Name: 7-methyl-2-oxo-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Traditional Name: 2-keto-7-methyl-4-propyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC3)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC3)[O-]

InChI

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