1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]pyrrolidin-1-ium

Systemtic Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]pyrrolidin-1-ium Openeye Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]pyrrolidin-1-ium CAS Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]pyrrolidin-1-ium IUPAC Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]pyrrolidin-1-ium Traditional Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]pyrrolidin-1-ium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)[NH+]4CCCC4

Isomeric SMILES

C1CC[C@]2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)[NH+]4CCCC4

InChI

InChI=1S/C17H20N2O3/c20-19(21)15-6-7-16-13(12-15)11-14-5-1-2-8-17(14,22-16)18-9-3-4-10-18/h6-7,11-12H,1-5,8-10H2/p+1/t17-/m0/s1