1-methyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-(3-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/c1-13-5-7-14(8-6-13)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3/p+2