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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)sulfanyl-acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-bromophenyl)thio]acetamide Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2OS/c21-17-6-8-19(9-7-17)25-15-20(24)22-18-10-12-23(13-11-18)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24)/p+1