3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

Systemtic Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidin-1-iumyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: N-methyl-3-[(3R)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]-N-[2-(2-pyridyl)ethyl]propionamide Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)CCC2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C23H29N5OS/c1-27(14-11-20-6-2-3-12-24-20)23(29)10-8-18-5-4-13-28(16-18)17-19-7-9-21-22(15-19)26-30-25-21/h2-3,6-7,9,12,15,18H,4-5,8,10-11,13-14,16-17H2,1H3/p+1/t18-/m1/s1