4-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 4-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4)O)CCC2=O

Isomeric SMILES

C1CC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4)O)CCC2=O

InChI

InChI=1S/C20H23NO3/c22-18-9-8-15-19(23)17(14-6-2-1-3-7-14)13-24-20(15)16(18)12-21-10-4-5-11-21/h1-3,6-7,13,16,20,23H,4-5,8-12H2/p+1