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

Systemtic Name: 2-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(5-cyano-8-isopropyl-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-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(5-cyano-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2COC(CC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CC(C)C1=C2COC(CC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C26H33N5O2/c1-18(2)24-22-17-33-26(3,4)14-20(22)21(15-27)25(29-24)31-12-10-30(11-13-31)16-23(32)28-19-8-6-5-7-9-19/h5-9,18H,10-14,16-17H2,1-4H3,(H,28,32)/p+1