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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C22H22N4OS/c23-12-9-16-5-7-18(8-6-16)24-21(27)15-26-13-10-17(11-14-26)22-25-19-3-1-2-4-20(19)28-22/h1-8,17H,9-11,13-15H2,(H,24,27)/p+1