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

Systemtic Name: 3-(phenylsulfonyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c23-19(8-15-26(24,25)18-4-2-1-3-5-18)22-13-11-21(12-14-22)16-17-6-9-20-10-7-17/h1-7,9-10H,8,11-16H2/p+1