3-(4-bromophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(4-bromophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-bromophenyl)sulfonyl-propanamide CAS Name: 3-(4-bromophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-bromophenyl)sulfonylpropanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-brosyl-propionamide Formula: C21H26BrN2O3S+ MolecularWeight: 466.41174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c22-18-6-8-20(9-7-18)28(26,27)15-12-21(25)23-19-10-13-24(14-11-19)16-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,23,25)/p+1