2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenylthiazol-2-yl)acetamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c1-13-6-5-9-20(10-13)11-16(21)19-17-18-15(12-22-17)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,18,19,21)/p+1/t13-/m0/s1