1-ethyl-4-[(2-nitrophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[(2-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[(2-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-ethyl-4-[(2-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[(2-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-ethyl-4-(2-nitrobenzyl)piperazin-1-ium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2/c1-2-14-7-9-15(10-8-14)11-12-5-3-4-6-13(12)16(17)18/h3-6H,2,7-11H2,1H3/p+1