1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazine-1,4-diium Formula: C19H25N3O3+2 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3/c23-22(24)18-7-4-8-19(15-18)25-14-13-20-9-11-21(12-10-20)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2/p+2