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

Systemtic Name: (3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)azetidin-2-one Openeye Name: (3S,4R)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)-1-(p-tolyl)azetidin-2-one CAS Name: (3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(1-piperidin-1-iumylmethyl)-2-azetidinone IUPAC Name: (3S,4R)-1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)azetidin-2-one Traditional Name: (3S,4R)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)-1-(p-tolyl)azetidin-2-one Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C2=O)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O/c1-17-10-12-19(13-11-17)24-21(18-8-4-2-5-9-18)20(22(24)25)16-23-14-6-3-7-15-23/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3/p+1/t20-,21-/m0/s1