(E)-2-cyano-N-cyclohexyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C25H34N6O2+2 MolecularWeight: 450.57646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)NC4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)NC4CCCCC4

InChI

InChI=1S/C25H32N6O2/c1-3-29-12-14-30(15-13-29)23-21(25(33)31-11-7-8-18(2)22(31)28-23)16-19(17-26)24(32)27-20-9-5-4-6-10-20/h7-8,11,16,20H,3-6,9-10,12-15H2,1-2H3,(H,27,32)/p+2/b19-16+