N-[1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C16H27N6O3S+ MolecularWeight: 383.48898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H26N6O3S/c1-26(24,25)19-14-3-7-20(8-4-14)13-15(23)21-9-11-22(12-10-21)16-17-5-2-6-18-16/h2,5-6,14,19H,3-4,7-13H2,1H3/p+1