8-nitro-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 8-nitro-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: 8-nitro-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: 8-nitro-3,3-bis(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-nitro-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: 8-nitro-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one Formula: C19H27N3O4+2 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2(COC3=C(C2=O)C=CC=C3[N+](=O)[O-])C[NH+]4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2(COC3=C(C2=O)C=CC=C3[N+](=O)[O-])C[NH+]4CCCC4

InChI

InChI=1S/C19H25N3O4/c23-18-15-6-5-7-16(22(24)25)17(15)26-14-19(18,12-20-8-1-2-9-20)13-21-10-3-4-11-21/h5-7H,1-4,8-14H2/p+2