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

Systemtic Name: 1-phenyl-N-[[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: 1-phenyl-N-[[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: 1-phenyl-N-[[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c28-30(29,19-20-7-2-1-3-8-20)25-15-21-9-5-13-26(17-21)18-23-11-6-14-27(23)22-10-4-12-24-16-22/h1-4,6-8,10-12,14,16,21,25H,5,9,13,15,17-19H2/p+1/t21-/m1/s1