1-methyl-4-[3-(5-methyl-2-nitro-phenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-(5-methyl-2-nitro-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[3-(5-methyl-2-nitro-phenoxy)propyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[3-(5-methyl-2-nitrophenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[3-(5-methyl-2-nitrophenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[3-(5-methyl-2-nitro-phenoxy)propyl]piperazine-1,4-diium Formula: C15H25N3O3+2 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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