1-[(4aS)-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(4aS)-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1/t18-/m0/s1