2-[(2S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-2-yl]ethyl]ammonium CAS Name: 2-[(2S)-5-oxo-1-(3-phenylpropyl)-2-pyrrolidinyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-2-yl]ethyl]azanium Traditional Name: benzyl-[2-[(2S)-5-keto-1-(3-phenylpropyl)pyrrolidin-2-yl]ethyl]ammonium Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CC[NH2+]CC2=CC=CC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N([C@@H]1CC[NH2+]CC2=CC=CC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c25-22-14-13-21(15-16-23-18-20-10-5-2-6-11-20)24(22)17-7-12-19-8-3-1-4-9-19/h1-6,8-11,21,23H,7,12-18H2/p+1/t21-/m0/s1