2-[(2S)-1-[(3-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(2-phenoxyethyl)azanium

Systemtic Name: 2-[(2S)-1-[(3-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(2-phenoxyethyl)azanium Openeye Name: 2-[(2S)-1-(m-tolylmethyl)-5-oxo-pyrrolidin-2-yl]ethyl-(2-phenoxyethyl)ammonium CAS Name: 2-[(2S)-1-[(3-methylphenyl)methyl]-5-oxo-2-pyrrolidinyl]ethyl-(2-phenoxyethyl)ammonium IUPAC Name: 2-[(2S)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethyl-(2-phenoxyethyl)azanium Traditional Name: 2-[(2S)-5-keto-1-(3-methylbenzyl)pyrrolidin-2-yl]ethyl-(2-phenoxyethyl)ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(CCC2=O)CC[NH2+]CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2[C@@H](CCC2=O)CC[NH2+]CCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-18-6-5-7-19(16-18)17-24-20(10-11-22(24)25)12-13-23-14-15-26-21-8-3-2-4-9-21/h2-9,16,20,23H,10-15,17H2,1H3/p+1/t20-/m0/s1