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

Systemtic Name: 1-methyl-4-[4-(5-methyl-2-nitro-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-(5-methyl-2-nitro-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[4-(5-methyl-2-nitrophenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[4-(5-methyl-2-nitrophenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(5-methyl-2-nitro-phenoxy)butyl]piperazine-1,4-diium Formula: C16H27N3O3+2 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-14-5-6-15(19(20)21)16(13-14)22-12-4-3-7-18-10-8-17(2)9-11-18/h5-6,13H,3-4,7-12H2,1-2H3/p+2