4-methyl-7-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C4=CC=CC=C4

InChI

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