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

Systemtic Name: 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine-1,4-diium Formula: C14H23N3O3+2 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC[NH+]2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC[NH+]2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-12-11-13(3-4-14(12)17(18)19)20-10-9-16-7-5-15(2)6-8-16/h3-4,11H,5-10H2,1-2H3/p+2