N-(furan-2-ylmethyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-(2-furylmethyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-(2-furanylmethyl)-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-(furan-2-ylmethyl)-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: 2-furfuryl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C15H19N4O3+ MolecularWeight: 303.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C15H18N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h1-4,9-10,16-17H,5-8,11H2/p+1