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

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-4-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-4-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CSC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CSC=N3

InChI

InChI=1S/C17H21N3OS/c21-17(16-12-22-13-18-16)19-15-7-4-9-20(11-15)10-8-14-5-2-1-3-6-14/h1-3,5-6,12-13,15H,4,7-11H2,(H,19,21)/p+1/t15-/m0/s1