N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-nitrofuran-2-yl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-nitrofuran-2-yl)methanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-nitro-2-furyl)methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(5-nitro-2-furanyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-nitrofuran-2-yl)methanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-[(5-nitro-2-furyl)methylene]amine Formula: C16H18ClN4O3+ MolecularWeight: 349.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)N=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)/N=C\C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O3/c17-14-3-1-13(2-4-14)12-19-7-9-20(10-8-19)18-11-15-5-6-16(24-15)21(22)23/h1-6,11H,7-10,12H2/p+1/b18-11-