[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylphenyl)amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylphenyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[4-(1-pyrrolidinyl)anilino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-pyrrolidinoanilino)ethyl]ammonium Formula: C13H20N3O+ MolecularWeight: 234.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCC2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCC2)[NH3+]

InChI

InChI=1S/C13H19N3O/c1-10(14)13(17)15-11-4-6-12(7-5-11)16-8-2-3-9-16/h4-7,10H,2-3,8-9,14H2,1H3,(H,15,17)/p+1/t10-/m0/s1