N-[[(3S)-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidin-3-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[(3S)-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidin-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-piperidyl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-3-piperidinyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-piperidyl]methyl]-1-phenyl-methanesulfonamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC[NH+]2CCOCC2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC[NH+]2CCOCC2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O4S/c24-20(8-10-22-11-13-27-14-12-22)23-9-4-7-19(16-23)15-21-28(25,26)17-18-5-2-1-3-6-18/h1-3,5-6,19,21H,4,7-17H2/p+1/t19-/m1/s1