6-ethyl-7-oxidanyl-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCCC4)O

InChI

InChI=1S/C22H23NO3/c1-2-15-12-18-17(16-8-4-3-5-9-16)13-20(24)26-22(18)19(21(15)25)14-23-10-6-7-11-23/h3-5,8-9,12-13,25H,2,6-7,10-11,14H2,1H3/p+1