N-(cyclohexen-1-yl)-N-ethyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-ethyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-ethylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(cyclohexen-1-yl)-N-ethyl-acetamide Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3S/c1-2-23(18-9-5-3-6-10-18)20(24)17-21-13-15-22(16-14-21)27(25,26)19-11-7-4-8-12-19/h4,7-9,11-12H,2-3,5-6,10,13-17H2,1H3/p+1