2-[(2R)-5-oxidanylidene-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2R)-5-oxidanylidene-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2R)-5-oxo-1-[3-(4-pyridyl)propyl]pyrrolidin-2-yl]ethyl]ammonium CAS Name: 2-[(2R)-5-oxo-1-(3-pyridin-4-ylpropyl)-2-pyrrolidinyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2R)-5-oxo-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethyl]azanium Traditional Name: benzyl-[2-[(2R)-5-keto-1-[3-(4-pyridyl)propyl]pyrrolidin-2-yl]ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c25-21-9-8-20(12-15-23-17-19-5-2-1-3-6-19)24(21)16-4-7-18-10-13-22-14-11-18/h1-3,5-6,10-11,13-14,20,23H,4,7-9,12,15-17H2/p+1/t20-/m1/s1