1-[(4aR)-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(4aR)-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(4aR)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(4aR)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(4aR)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(4aR)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazine-1,4-diium Formula: C18H24ClN3O3+2 MolecularWeight: 365.85446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@@]23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O3/c1-20-6-8-21(9-7-20)18-5-3-2-4-14(18)10-13-11-15(19)12-16(22(23)24)17(13)25-18/h10-12H,2-9H2,1H3/p+2/t18-/m1/s1