1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium Formula: C13H21N3O3+2 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-14-5-7-15(8-6-14)9-10-19-13-4-2-3-12(11-13)16(17)18/h2-4,11H,5-10H2,1H3/p+2