[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(2-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethyl]ammonium Formula: C13H22N4O2+2 MolecularWeight: 266.33938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O2/c1-15-6-8-16(9-7-15)13(10-14)11-4-2-3-5-12(11)17(18)19/h2-5,13H,6-10,14H2,1H3/p+2/t13-/m1/s1