1-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[5-(2-chloro-4-nitro-phenyl)-2-furyl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C16H18ClN4O3+ MolecularWeight: 349.79212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O3/c1-19-6-8-20(9-7-19)18-11-13-3-5-16(24-13)14-4-2-12(21(22)23)10-15(14)17/h2-5,10-11H,6-9H2,1H3/p+1/b18-11-