1-pentan-3-yl-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-pentan-3-yl-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-(1-ethylpropyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-pentan-3-ylpiperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-pentan-3-ylpiperazin-4-ium Traditional Name: 1-besyl-4-(1-ethylpropyl)piperazin-4-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H24N2O2S/c1-3-14(4-2)16-10-12-17(13-11-16)20(18,19)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3/p+1