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

Systemtic Name: N-[[(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)N)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(N=C2)N)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O2S/c19-18-20-9-17(10-21-18)13-23-8-4-7-16(12-23)11-22-26(24,25)14-15-5-2-1-3-6-15/h1-3,5-6,9-10,16,22H,4,7-8,11-14H2,(H2,19,20,21)/p+1/t16-/m1/s1