[3-[[(2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]amino]benzyl]ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCC(CC2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCC(CC2)O

InChI

InChI=1S/C15H23N3O2/c1-11(18-7-5-14(19)6-8-18)15(20)17-13-4-2-3-12(9-13)10-16/h2-4,9,11,14,19H,5-8,10,16H2,1H3,(H,17,20)/p+2/t11-/m0/s1