(2S)-N-(2-methoxy-5-nitro-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C15H22N3O5+ MolecularWeight: 324.35228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)O

InChI

InChI=1S/C15H21N3O5/c1-10(17-7-5-12(19)6-8-17)15(20)16-13-9-11(18(21)22)3-4-14(13)23-2/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,16,20)/p+1/t10-/m0/s1