[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-(phenylmethyl)azanium

Systemtic Name: [(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-(phenylmethyl)azanium Openeye Name: [(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-benzyl-ammonium CAS Name: [(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-(phenylmethyl)ammonium IUPAC Name: [(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-benzylazanium Traditional Name: [(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-benzyl-ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)[NH2+]CC4=CC=CC=C4

Isomeric SMILES

C1CC[C@@]2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3/c23-22(24)18-9-10-19-16(13-18)12-17-8-4-5-11-20(17,25-19)21-14-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,21H,4-5,8,11,14H2/p+1/t20-/m1/s1