1-phenyl-N-[[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: N-[[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: N-[[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-16(2)20-11-19(22-23-20)14-24-10-6-9-18(13-24)12-21-27(25,26)15-17-7-4-3-5-8-17/h3-5,7-8,11,16,18,21H,6,9-10,12-15H2,1-2H3,(H,22,23)/p+1/t18-/m1/s1