(3S)-1-oxidanylidene-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-1-oxidanylidene-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-1-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isochromane-6-carboxamide CAS Name: (3S)-1-oxo-3-phenyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-1-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isochroman-6-carboxamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H30N2O3/c1-24(2)14-19(15-25(3,4)27-24)26-22(28)17-10-11-20-18(12-17)13-21(30-23(20)29)16-8-6-5-7-9-16/h5-12,19,21,27H,13-15H2,1-4H3,(H,26,28)/p+1/t21-/m0/s1