N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-cyanobenzamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-cyanobenzamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzamide Formula: C19H20ClN4O+ MolecularWeight: 355.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O/c1-23-7-9-24(10-8-23)18-6-5-16(20)12-17(18)22-19(25)15-4-2-3-14(11-15)13-21/h2-6,11-12H,7-10H2,1H3,(H,22,25)/p+1