1-methyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-(2-nitrobenzyl)piperazine-1,4-diium Formula: C12H19N3O2+2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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