[4-[2-(4-chloranylphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]methanediamine

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]methanediamine Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-ylidene]methanediamine CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazine-1,4-diiumylidene]methanediamine IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-ylidene]methanediamine Traditional Name: [amino-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-ylidene]methyl]amine Formula: C13H21ClN4O+2 MolecularWeight: 284.78504

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CC[NH+]1CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[N+](=C(N)N)CC[NH+]1CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H19ClN4O/c14-11-1-3-12(4-2-11)19-10-9-17-5-7-18(8-6-17)13(15)16/h1-4H,5-10H2,(H3,15,16)/p+2