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

Systemtic Name: 1-phenyl-N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: N-[[(3S)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: N-[[(3S)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C20H30N3O2S2+ MolecularWeight: 408.6011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O2S2/c1-16(2)19-14-26-20(22-19)13-23-10-6-9-18(12-23)11-21-27(24,25)15-17-7-4-3-5-8-17/h3-5,7-8,14,16,18,21H,6,9-13,15H2,1-2H3/p+1/t18-/m1/s1