2-propan-2-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-propan-2-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-isopropyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]thiazole-4-carboxamide CAS Name: 2-propan-2-yl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-4-thiazolecarboxamide IUPAC Name: 2-propan-2-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-isopropyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]thiazole-4-carboxamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=NC(=CS1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H24N4OS/c1-13(2)18-21-16(12-24-18)17(23)20-15-7-5-9-22(11-15)10-14-6-3-4-8-19-14/h3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1