3-(phenylsulfonyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(phenylsulfonyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-besyl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-18(9-15-25(23,24)16-6-2-1-3-7-16)21-13-11-20(12-14-21)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2/p+1