4-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-5-carboxamide CAS Name: 4-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-5-carboxamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=N1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3OS/c1-14-17(23-13-19-14)18(22)20-16-8-5-10-21(12-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,20,22)/p+1/t16-/m0/s1