N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C27H33N4O2S+ MolecularWeight: 477.64152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCC(CC4)C(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCC(CC4)C(=O)N5CCCCC5

InChI

InChI=1S/C27H32N4O2S/c1-19-5-10-23-24(17-19)34-26(29-23)20-6-8-22(9-7-20)28-25(32)18-30-15-11-21(12-16-30)27(33)31-13-3-2-4-14-31/h5-10,17,21H,2-4,11-16,18H2,1H3,(H,28,32)/p+1