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

Systemtic Name: 1-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]piperazine-1,4-diium CAS Name: 1-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]piperazine-1,4-diium Formula: C22H31N3O4+2 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-19-7-8-21(25(26)27)22(17-19)29-16-15-28-14-13-23-9-11-24(12-10-23)18-20-5-3-2-4-6-20/h2-8,17H,9-16,18H2,1H3/p+2