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

Systemtic Name: 1-methyl-4-[4-(3-nitrophenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-(3-nitrophenoxy)butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[4-(3-nitrophenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[4-(3-nitrophenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(3-nitrophenoxy)butyl]piperazine-1,4-diium Formula: C15H25N3O3+2 MolecularWeight: 295.3773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O3/c1-16-8-10-17(11-9-16)7-2-3-12-21-15-6-4-5-14(13-15)18(19)20/h4-6,13H,2-3,7-12H2,1H3/p+2