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

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2-isopropyl-thiazole-4-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-propan-2-yl-4-thiazolecarboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2-isopropyl-thiazole-4-carboxamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC(C)C1=NC(=CS1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C18H24N4O2S/c1-12(2)18-21-15(11-25-18)17(24)20-9-13-5-3-7-19-16(13)22-8-4-6-14(23)10-22/h3,5,7,11-12,14,23H,4,6,8-10H2,1-2H3,(H,20,24)/p+1/t14-/m0/s1