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

Systemtic Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]-4-methyl-piperazin-4-ium Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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