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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)C)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N=C(C(=N1)C)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N5O2/c1-17-18(2)28-22(19(3)27-17)16-30-14-8-7-11-23(30)25(31)29-20-12-13-24(26-15-20)32-21-9-5-4-6-10-21/h4-6,9-10,12-13,15,23H,7-8,11,14,16H2,1-3H3,(H,29,31)/p+1/t23-/m0/s1