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

Systemtic Name: 6-chloranyl-7-oxidanyl-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C20H19ClNO3+ MolecularWeight: 356.82276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClNO3/c21-17-10-15-14(13-6-2-1-3-7-13)11-18(23)25-20(15)16(19(17)24)12-22-8-4-5-9-22/h1-3,6-7,10-11,24H,4-5,8-9,12H2/p+1