N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C18H26N3O2S2+ MolecularWeight: 380.54794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N3O2S2/c1-15-19-11-18(24-15)13-21-9-5-8-17(12-21)10-20-25(22,23)14-16-6-3-2-4-7-16/h2-4,6-7,11,17,20H,5,8-10,12-14H2,1H3/p+1/t17-/m1/s1