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

Systemtic Name: N-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-25-21-12-6-5-11-20(21)24-22(25)16-26-13-7-10-19(15-26)14-23-29(27,28)17-18-8-3-2-4-9-18/h2-6,8-9,11-12,19,23H,7,10,13-17H2,1H3/p+1/t19-/m1/s1