(3R)-6-bromanyl-8-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6-bromanyl-8-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6-bromo-8-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)-3-(pyrrolidin-1-ylmethyl)chroman-4-one CAS Name: (3R)-6-bromo-8-nitro-3-(1-pyrrolidin-1-iumylmethyl)-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-8-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6-bromo-8-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)-3-(pyrrolidinomethyl)chroman-4-one Formula: C19H25BrN3O4+ MolecularWeight: 439.3235

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2(COC3=C(C=C(C=C3C2=O)Br)[N+](=O)[O-])CN4CCCC4

Isomeric SMILES

C1CC[NH+](C1)C[C@@]2(COC3=C(C=C(C=C3C2=O)Br)[N+](=O)[O-])CN4CCCC4

InChI

InChI=1S/C19H24BrN3O4/c20-14-9-15-17(16(10-14)23(25)26)27-13-19(18(15)24,11-21-5-1-2-6-21)12-22-7-3-4-8-22/h9-10H,1-8,11-13H2/p+1