ethyl (E)-3-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-2-cyano-acrylic acid ethyl ester Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C)/C#N

InChI

InChI=1S/C17H21ClN4O2/c1-3-24-17(23)13(11-19)12-20-15-10-14(18)4-5-16(15)22-8-6-21(2)7-9-22/h4-5,10,12,20H,3,6-9H2,1-2H3/p+1/b13-12+