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

Systemtic Name: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-(m-tolylmethyl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-[(3-methylphenyl)methyl]-2-thiazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-(3-methylbenzyl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3OS/c1-14-6-5-7-15(10-14)11-16-12-19-18(23-16)20-17(22)13-21-8-3-2-4-9-21/h5-7,10,12H,2-4,8-9,11,13H2,1H3,(H,19,20,22)/p+1