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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C[NH+]3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C[NH+]3CCCCC3)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-13-5-6-14(10-16(13)19)9-15-11-20-18(24-15)21-17(23)12-22-7-3-2-4-8-22/h5-6,10-11H,2-4,7-9,12H2,1H3,(H,20,21,23)/p+1