4-[3-(4,4-dimethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-1,1-dimethyl-piperazin-1-ium

Systemtic Name: 4-[3-(4,4-dimethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-1,1-dimethyl-piperazin-1-ium Openeye Name: 4-[3-(4,4-dimethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-1,1-dimethyl-piperazin-1-ium CAS Name: 4-[3-(4,4-dimethyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1,1-dimethylpiperazin-1-ium IUPAC Name: 4-[3-(4,4-dimethylpiperazin-4-ium-1-yl)-2-nitrophenyl]-1,1-dimethylpiperazin-1-ium Traditional Name: 4-[3-(4,4-dimethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-1,1-dimethyl-piperazin-1-ium Formula: C18H31N5O2+2 MolecularWeight: 349.47104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C(C(=CC=C2)N3CC[N+](CC3)(C)C)[N+](=O)[O-])C

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C(C(=CC=C2)N3CC[N+](CC3)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H31N5O2/c1-22(2)12-8-19(9-13-22)16-6-5-7-17(18(16)21(24)25)20-10-14-23(3,4)15-11-20/h5-7H,8-15H2,1-4H3/q+2