[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium

Systemtic Name: [(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-[3-(2-ketopyrrolidino)propyl]ammonium Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCC[NH2+]CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1CC(=O)N(C1)CCC[NH2+]C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C17H23N3O3/c18-11-14-4-6-16(7-5-14)23-13-15(21)12-19-8-2-10-20-9-1-3-17(20)22/h4-7,15,19,21H,1-3,8-10,12-13H2/p+1/t15-/m0/s1