(2S,3R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-butanoate; piperidin-1-ium

Systemtic Name: (2S,3R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-butanoate; piperidin-1-ium Openeye Name: (2S,3R)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-butanoate; piperidin-1-ium CAS Name: (2S,3R)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-hydroxybutanoate; piperidin-1-ium IUPAC Name: (2S,3R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxybutanoate; piperidin-1-ium Traditional Name: (2S,3R)-3-hydroxy-2-(naphthionylamino)butyrate; piperidin-1-ium Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)O.C1CC[NH2+]CC1

Isomeric SMILES

C[C@H]([C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)O.C1CC[NH2+]CC1

InChI

InChI=1S/C16H20N2O5S.C5H11N/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3;1-2-4-6-5-3-1/h4-10,15,17,19H,1-3H3,(H,20,21);6H,1-5H2/t10-,15+;/m1./s1