N-(4-methylpiperazin-4-ium-1-yl)-1-[5-(3-nitrophenyl)furan-2-yl]methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[5-(3-nitrophenyl)furan-2-yl]methanimine Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[5-(3-nitrophenyl)-2-furyl]methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[5-(3-nitrophenyl)-2-furanyl]methanimine IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[5-(3-nitrophenyl)furan-2-yl]methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-[[5-(3-nitrophenyl)-2-furyl]methylene]amine Formula: C16H19N4O3+ MolecularWeight: 315.34706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-18-7-9-19(10-8-18)17-12-15-5-6-16(23-15)13-3-2-4-14(11-13)20(21)22/h2-6,11-12H,7-10H2,1H3/p+1/b17-12-