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

Systemtic Name: (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)azetidin-2-one Openeye Name: (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)azetidin-2-one CAS Name: (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-(1-piperidin-1-iumylmethyl)-2-azetidinone IUPAC Name: (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)azetidin-2-one Traditional Name: (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)azetidin-2-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2/c1-26-19-12-10-18(11-13-19)24-21(17-8-4-2-5-9-17)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+/m1/s1