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

Systemtic Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(5-methyl-2-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(5-methyl-2-nitrophenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperazine-1,4-diium Formula: C20H27N3O3+2 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c1-17-7-8-19(23(24)25)20(15-17)26-14-13-21-9-11-22(12-10-21)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3/p+2