N-[[(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: N-[[(3S)-1-[(2-phenylthiazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: N-[[(3S)-1-[(2-phenyl-4-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: N-[[(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: N-[[(3S)-1-[(2-phenylthiazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C17H24N3O2S2+ MolecularWeight: 366.52136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCC[NH+](C1)CC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC[C@H]1CCC[NH+](C1)CC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O2S2/c1-24(21,22)18-10-14-6-5-9-20(11-14)12-16-13-23-17(19-16)15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3/p+1/t14-/m1/s1