N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-3-23-8-10-24(11-9-23)18-7-6-16(13-17(18)21)22-20(26)15-5-4-14(2)19(12-15)25(27)28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)/p+1