2-(azocan-1-ium-1-yl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-[4-(2-chlorophenyl)sulfonylpiperazino]ethanone Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H28ClN3O3S/c20-17-8-4-5-9-18(17)27(25,26)23-14-12-22(13-15-23)19(24)16-21-10-6-2-1-3-7-11-21/h4-5,8-9H,1-3,6-7,10-16H2/p+1