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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CCC(=O)NC2=CC=CC=C2N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CCC(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C16H25N3O2/c17-14-6-1-2-7-15(14)18-16(21)8-11-19-10-4-3-5-13(19)9-12-20/h1-2,6-7,13,20H,3-5,8-12,17H2,(H,18,21)/p+1/t13-/m0/s1