N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-methyl-5-phenyl-thiazol-2-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(4-methyl-5-phenyl-2-thiazolyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-methyl-5-phenyl-thiazol-2-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

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