3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]propanamide

Systemtic Name: 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]propanamide Openeye Name: 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]propanamide CAS Name: 3-(4-bromophenyl)sulfonyl-N-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]propanamide Traditional Name: 3-brosyl-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]propionamide Formula: C17H26BrN2O3S+ MolecularWeight: 418.36894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1CC[NH+](CC1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H25BrN2O3S/c1-14-6-10-20(11-7-14)12-9-19-17(21)8-13-24(22,23)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21)/p+1