N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-pyridine-2-carboxamide

Systemtic Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-pyridine-2-carboxamide Openeye Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-pyridine-2-carboxamide CAS Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-2-pyridinecarboxamide IUPAC Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide Traditional Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]picolinamide Formula: C27H30N5OS+ MolecularWeight: 472.625

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)C5=CC=CC=N5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C27H29N5OS/c1-31(27(33)24-9-5-6-14-28-24)26(18-20-7-3-2-4-8-20)22-12-15-32(16-13-22)19-21-10-11-23-25(17-21)30-34-29-23/h2-11,14,17,22,26H,12-13,15-16,18-19H2,1H3/p+1/t26-/m1/s1