(3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)azetidin-2-one

Systemtic Name: (3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)azetidin-2-one Openeye Name: (3S,4R)-4-phenyl-1-(p-tolyl)-3-(pyrrolidin-1-ium-1-ylmethyl)azetidin-2-one CAS Name: (3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-2-azetidinone IUPAC Name: (3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)azetidin-2-one Traditional Name: (3S,4R)-4-phenyl-1-(p-tolyl)-3-(pyrrolidin-1-ium-1-ylmethyl)azetidin-2-one Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C2=O)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O/c1-16-9-11-18(12-10-16)23-20(17-7-3-2-4-8-17)19(21(23)24)15-22-13-5-6-14-22/h2-4,7-12,19-20H,5-6,13-15H2,1H3/p+1/t19-,20-/m0/s1