N-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-thiazole-4-carboxamide CAS Name: N-[3-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]propyl]-2-methyl-4-thiazolecarboxamide IUPAC Name: N-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-1,3-thiazole-4-carboxamide Traditional Name: 2-methyl-N-[3-[(3S)-3-methylolpiperidin-1-ium-1-yl]propyl]thiazole-4-carboxamide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NCCC[NH+]2CCCC(C2)CO

Isomeric SMILES

CC1=NC(=CS1)C(=O)NCCC[NH+]2CCC[C@@H](C2)CO

InChI

InChI=1S/C14H23N3O2S/c1-11-16-13(10-20-11)14(19)15-5-3-7-17-6-2-4-12(8-17)9-18/h10,12,18H,2-9H2,1H3,(H,15,19)/p+1/t12-/m0/s1