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

Systemtic Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]benzamide Openeye Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]benzamide CAS Name: 4-cyano-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]benzamide IUPAC Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]benzamide Traditional Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]benzamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-3-24-10-12-25(13-11-24)20-9-8-19(14-16(20)2)23-21(26)18-6-4-17(15-22)5-7-18/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)/p+1