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

Systemtic Name: N-[[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-29(28,18-19-6-2-1-3-7-19)25-14-20-8-5-13-26(16-20)17-22-10-4-9-21-15-24-12-11-23(21)22/h1-4,6-7,9-12,15,20,25H,5,8,13-14,16-18H2/p+1/t20-/m1/s1