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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3S/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)27(25,26)19-9-5-2-6-10-19/h2,5-7,9-10H,1,3-4,8,11-17H2,(H,21,24)/p+1