4-(4-chlorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperazine-1-carboxamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide Formula: C20H32ClN4O3S+ MolecularWeight: 444.01108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C20H31ClN4O3S/c1-20(2,24-10-4-3-5-11-24)16-22-19(26)23-12-14-25(15-13-23)29(27,28)18-8-6-17(21)7-9-18/h6-9H,3-5,10-16H2,1-2H3,(H,22,26)/p+1