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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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