N-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC(=O)C[NH+]2CCCCC2)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC(=O)C[NH+]2CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C19H25N5O/c1-14(22-18(25)13-24-10-4-3-5-11-24)17-12-21-19(23-15(17)2)16-6-8-20-9-7-16/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1