4-ethyl-7-methyl-5-oxidanyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-ethyl-7-methyl-5-oxidanyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-ethyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-ethyl-5-hydroxy-7-methyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-ethyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-ethyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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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/p+1