(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propionamide Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCC(CC3)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H27N3O5S/c1-14(20-7-5-16(22)6-8-20)18(23)19-15-3-2-4-17(13-15)27(24,25)21-9-11-26-12-10-21/h2-4,13-14,16,22H,5-12H2,1H3,(H,19,23)/p+1/t14-/m0/s1