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

Systemtic Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-methyl-4-(4-nitrobenzyl)piperazin-1-ium Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-13-6-8-14(9-7-13)10-11-2-4-12(5-3-11)15(16)17/h2-5H,6-10H2,1H3/p+1