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

Systemtic Name: 4-ethyl-7-methyl-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Openeye Name: 4-ethyl-7-methyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate CAS Name: 4-ethyl-7-methyl-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-5-olate IUPAC Name: 4-ethyl-7-methyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Traditional Name: 4-ethyl-2-keto-7-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC3)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC3)[O-]

InChI

InChI=1S/C17H21NO3/c1-3-12-9-15(19)21-14-8-11(2)13(17(20)16(12)14)10-18-6-4-5-7-18/h8-9,20H,3-7,10H2,1-2H3