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

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-15(27)23-17-6-8-18(9-7-17)24-21(28)14-26-12-10-16(11-13-26)22-25-19-4-2-3-5-20(19)29-22/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,28)/p+1