[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)ethyl]ammonium Formula: C14H24N4O2+2 MolecularWeight: 280.36596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2/c1-2-16-6-8-17(9-7-16)14(11-15)12-4-3-5-13(10-12)18(19)20/h3-5,10,14H,2,6-9,11,15H2,1H3/p+2/t14-/m1/s1