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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c27-22(24-14-6-9-18-7-2-1-3-8-18)17-26-15-12-19(13-16-26)23-25-20-10-4-5-11-21(20)28-23/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,24,27)/p+1