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

Systemtic Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-propanoate; piperidin-1-ium Openeye Name: (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-propanoate; piperidin-1-ium CAS Name: (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-hydroxypropanoate; piperidin-1-ium IUPAC Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate; piperidin-1-ium Traditional Name: (2S)-3-hydroxy-2-(naphthionylamino)propionate; piperidin-1-ium Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S.C5H11N/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;1-2-4-6-5-3-1/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);6H,1-5H2/t12-;/m0./s1