N-ethyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: N-ethyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-ethyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-ethyl-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-ethyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: ethyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C13H21N4O2+ MolecularWeight: 265.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O2/c1-3-14-12-10-11(4-5-13(12)17(18)19)16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3/p+1