N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-phenylthiazol-4-yl)acetamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(2-phenyl-4-thiazolyl)acetamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-phenylthiazol-4-yl)acetamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3OS/c28-23(16-22-18-29-24(26-22)20-10-5-2-6-11-20)25-21-12-7-14-27(17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,18,21H,7,12-17H2,(H,25,28)/p+1/t21-/m0/s1