2-(4-tert-butylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-tert-butylphenyl)sulfanyl-acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-tert-butylphenyl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-tert-butylphenyl)thio]acetamide Formula: C24H33N2OS+ MolecularWeight: 397.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2OS/c1-24(2,3)20-9-11-22(12-10-20)28-18-23(27)25-21-13-15-26(16-14-21)17-19-7-5-4-6-8-19/h4-12,21H,13-18H2,1-3H3,(H,25,27)/p+1