(2S)-N-(6-phenoxypyridin-3-yl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(6-phenoxypyridin-3-yl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(6-phenoxy-3-pyridyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propyl-5-pyrimidinyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-(6-phenoxypyridin-3-yl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(6-phenoxy-3-pyridyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-2-8-23-26-15-19(16-27-23)18-30-14-7-6-11-22(30)25(31)29-20-12-13-24(28-17-20)32-21-9-4-3-5-10-21/h3-5,9-10,12-13,15-17,22H,2,6-8,11,14,18H2,1H3,(H,29,31)/p+1/t22-/m0/s1