2-(azocan-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-(4-besylpiperazino)ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c23-19(17-20-11-7-2-1-3-8-12-20)21-13-15-22(16-14-21)26(24,25)18-9-5-4-6-10-18/h4-6,9-10H,1-3,7-8,11-17H2/p+1