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

Systemtic Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-benzyl-N-methyl-propanamide CAS Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-benzyl-N-methylpropanamide Traditional Name: N-benzyl-N-methyl-3-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCC2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCC2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C23H28N4OS/c1-26(16-19-5-3-2-4-6-19)23(28)10-8-18-11-13-27(14-12-18)17-20-7-9-21-22(15-20)25-29-24-21/h2-7,9,15,18H,8,10-14,16-17H2,1H3/p+1