1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-besyl-propan-1-one Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c23-20(11-16-26(24,25)19-9-5-2-6-10-19)22-14-12-21(13-15-22)17-18-7-3-1-4-8-18/h1-10H,11-17H2/p+1