2-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2COC(CC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CCC1=C2COC(CC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C25H31N5O2/c1-4-22-21-17-32-25(2,3)14-19(21)20(15-26)24(28-22)30-12-10-29(11-13-30)16-23(31)27-18-8-6-5-7-9-18/h5-9H,4,10-14,16-17H2,1-3H3,(H,27,31)/p+1