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

Systemtic Name: 3-ethyl-4-methyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-ethyl-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-ethyl-4-methyl-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-ethyl-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-ethyl-2-keto-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)[O-])C[NH+]3CCCC3)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)[O-])C[NH+]3CCCC3)OC1=O)C

InChI

InChI=1S/C17H21NO3/c1-3-12-11(2)13-6-7-15(19)14(16(13)21-17(12)20)10-18-8-4-5-9-18/h6-7,19H,3-5,8-10H2,1-2H3