(2S)-N-(3-aminophenyl)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)N)[NH+]2CCCCC2CCO

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)N)[NH+]2CCCC[C@@H]2CCO

InChI

InChI=1S/C16H25N3O2/c1-12(19-9-3-2-7-15(19)8-10-20)16(21)18-14-6-4-5-13(17)11-14/h4-6,11-12,15,20H,2-3,7-10,17H2,1H3,(H,18,21)/p+1/t12-,15+/m0/s1