(2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-amino-2-chlorophenyl)-2-(4-hydroxy-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propionamide Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O2/c1-9(18-6-4-11(19)5-7-18)14(20)17-13-3-2-10(16)8-12(13)15/h2-3,8-9,11,19H,4-7,16H2,1H3,(H,17,20)/p+1/t9-/m0/s1