1-[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(4aR)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@@]23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-19-8-10-20(11-9-19)18-7-3-2-4-15(18)12-14-13-16(21(22)23)5-6-17(14)24-18/h5-6,12-13H,2-4,7-11H2,1H3/p+2/t18-/m1/s1