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

Systemtic Name: 4-butyl-7-methyl-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Openeye Name: 4-butyl-7-methyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate CAS Name: 4-butyl-7-methyl-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-5-olate IUPAC Name: 4-butyl-7-methyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Traditional Name: 4-butyl-2-keto-7-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC3)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC3)[O-]

InChI

InChI=1S/C19H25NO3/c1-3-4-7-14-11-17(21)23-16-10-13(2)15(19(22)18(14)16)12-20-8-5-6-9-20/h10-11,22H,3-9,12H2,1-2H3