2-(4-bromophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C20H30BrN2OS+ MolecularWeight: 426.434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=CC=C(C=C2)Br)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=CC=C(C=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C20H29BrN2OS/c21-17-7-9-18(10-8-17)25-15-19(24)22-16-20(11-3-1-4-12-20)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24)/p+1