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

Systemtic Name: 1-[5-(2-methyl-4-nitro-phenyl)furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-(2-methyl-4-nitro-phenyl)-2-furyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-(2-methyl-4-nitrophenyl)-2-furanyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[5-(2-methyl-4-nitro-phenyl)-2-furyl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N\N3CC[NH+](CC3)C

InChI

InChI=1S/C17H20N4O3/c1-13-11-14(21(22)23)3-5-16(13)17-6-4-15(24-17)12-18-20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3/p+1/b18-12-