N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylamino)pyridine-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylamino)pyridine-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(tetrahydropyran-4-ylamino)pyridine-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(4-oxanylamino)-3-pyridinecarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylamino)pyridine-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(tetrahydropyran-4-ylamino)nicotinamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)NC3CCOCC3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)NC3CCOCC3

InChI

InChI=1S/C19H30N4O2/c1-23-11-3-2-4-17(23)7-10-20-19(24)15-5-6-18(21-14-15)22-16-8-12-25-13-9-16/h5-6,14,16-17H,2-4,7-13H2,1H3,(H,20,24)(H,21,22)/p+1/t17-/m0/s1