(3S)-1-pyridin-1-ium-2-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-pyridin-1-ium-2-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-pyridin-1-ium-2-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-pyridin-1-iumyl)-N-[[(2R)-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-pyridin-1-ium-2-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-pyridin-1-ium-2-yl-N-[[(2R)-7-(2-pyrimidyl)coumaran-2-yl]methyl]nipecotamide Formula: C24H26N5O2+ MolecularWeight: 416.49554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=[NH+]2)C(=O)NCC3CC4=CC=CC(=C4O3)C5=NC=CC=N5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)C(=O)NC[C@H]3CC4=CC=CC(=C4O3)C5=NC=CC=N5

InChI

InChI=1S/C24H25N5O2/c30-24(18-7-4-13-29(16-18)21-9-1-2-10-25-21)28-15-19-14-17-6-3-8-20(22(17)31-19)23-26-11-5-12-27-23/h1-3,5-6,8-12,18-19H,4,7,13-16H2,(H,28,30)/p+1/t18-,19+/m0/s1