1-ethyl-4-[(3-nitrophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[(3-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[(3-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-ethyl-4-[(3-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[(3-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-ethyl-4-(3-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/c1-2-14-6-8-15(9-7-14)11-12-4-3-5-13(10-12)16(17)18/h3-5,10H,2,6-9,11H2,1H3/p+1