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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

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