2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c1-17(18-7-3-2-4-8-18)15-24-22(27)16-26-13-11-19(12-14-26)23-25-20-9-5-6-10-21(20)28-23/h2-10,17,19H,11-16H2,1H3,(H,24,27)/p+1/t17-/m1/s1