1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[3-(3-nitrophenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[3-(3-nitrophenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[3-(3-nitrophenoxy)propyl]piperazine-1,4-diium Formula: C20H27N3O3+2 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c24-23(25)19-8-4-9-20(16-19)26-15-5-10-21-11-13-22(14-12-21)17-18-6-2-1-3-7-18/h1-4,6-9,16H,5,10-15,17H2/p+2