N-(2-methyl-3-nitro-phenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: 3-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-(4-hydroxy-1-piperidin-1-iumyl)-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-11-13(3-2-4-14(11)18(21)22)16-15(20)7-10-17-8-5-12(19)6-9-17/h2-4,12,19H,5-10H2,1H3,(H,16,20)/p+1