ethyl (E)-3-azanyl-3-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-3-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-3-amino-3-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate CAS Name: (E)-3-amino-3-[4-(6-chloro-2-pyridin-1-iumyl)-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-3-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate Traditional Name: (E)-3-amino-3-[4-(6-chloropyridin-1-ium-2-yl)piperazino]acrylic acid ethyl ester Formula: C14H20ClN4O2+ MolecularWeight: 311.7872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(N)N1CCN(CC1)C2=[NH+]C(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)/C=C(\N)/N1CCN(CC1)C2=[NH+]C(=CC=C2)Cl

InChI

InChI=1S/C14H19ClN4O2/c1-2-21-14(20)10-12(16)18-6-8-19(9-7-18)13-5-3-4-11(15)17-13/h3-5,10H,2,6-9,16H2,1H3/p+1/b12-10+