(2S)-1-[[4-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[4-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[4-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[4-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[4-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[4-(4-keto-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)benzyl]pyrrolidin-1-ium-2-carboxamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCOCC4)C(=O)N

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCOCC4)C(=O)N

InChI

InChI=1S/C21H26N4O3/c22-20(27)18-2-1-9-25(18)13-14-3-5-16(6-4-14)21-23-17(12-19(26)24-21)15-7-10-28-11-8-15/h3-6,12,15,18H,1-2,7-11,13H2,(H2,22,27)(H,23,24,26)/p+1/t18-/m0/s1