[3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-1-oxo-2-(1-pyrrolidin-1-iumyl)propyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]benzyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C14H21N3O/c1-11(17-7-2-3-8-17)14(18)16-13-6-4-5-12(9-13)10-15/h4-6,9,11H,2-3,7-8,10,15H2,1H3,(H,16,18)/p+2/t11-/m0/s1