1-[(2S)-3-(4-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(4-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-(4-methyl-2-nitro-phenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-(4-methyl-2-nitro-phenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O5+ MolecularWeight: 338.37886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)N)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5/c1-11-2-3-15(14(8-11)19(22)23)24-10-13(20)9-18-6-4-12(5-7-18)16(17)21/h2-3,8,12-13,20H,4-7,9-10H2,1H3,(H2,17,21)/p+1/t13-/m0/s1