1-[2-(3-chloranylphenoxy)ethyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[2-(3-chloranylphenoxy)ethyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[2-(3-chlorophenoxy)ethyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[2-(3-chlorophenoxy)ethyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[2-(3-chlorophenoxy)ethyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[2-(3-chlorophenoxy)ethyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3/c19-15-2-1-3-18(14-15)25-13-12-20-8-10-21(11-9-20)16-4-6-17(7-5-16)22(23)24/h1-7,14H,8-13H2/p+1