(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate; piperidin-1-ium

Systemtic Name: (2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate; piperidin-1-ium Openeye Name: (2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidine-2-carboxylate; piperidin-1-ium CAS Name: (2S)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-2-pyrrolidinecarboxylate; piperidin-1-ium IUPAC Name: (2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate; piperidin-1-ium Traditional Name: (2S)-1-naphthionylpyrrolidine-2-carboxylate; piperidin-1-ium Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3C(=O)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC[C@H]3C(=O)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C17H20N2O4S.C5H11N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;1-2-4-6-5-3-1/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5H2/t15-;/m0./s1