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

Systemtic Name: 8-methyl-7-oxidanyl-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-phenyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+]3CCCC3)C(=CC(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+]3CCCC3)C(=CC(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-14-20(24)16(13-22-9-5-6-10-22)11-18-17(12-19(23)25-21(14)18)15-7-3-2-4-8-15/h2-4,7-8,11-12,24H,5-6,9-10,13H2,1H3/p+1