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

Systemtic Name: 7-oxidanyl-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C20H20NO3+ MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

InChI

InChI=1S/C20H19NO3/c22-18-9-8-15-16(14-6-2-1-3-7-14)12-19(23)24-20(15)17(18)13-21-10-4-5-11-21/h1-3,6-9,12,22H,4-5,10-11,13H2/p+1