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

Systemtic Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidin-1-iumyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C23H28N4O2S/c1-16-12-19(29-2)7-9-20(16)24-23(28)10-6-17-4-3-11-27(14-17)15-18-5-8-21-22(13-18)26-30-25-21/h5,7-9,12-13,17H,3-4,6,10-11,14-15H2,1-2H3,(H,24,28)/p+1/t17-/m1/s1