[1-(diphenylmethyl)azetidin-1-ium-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-(diphenylmethyl)azetidin-1-ium-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: (1-benzhydrylazetidin-1-ium-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [1-(diphenylmethyl)-3-azetidin-1-iumyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: (1-benzhydrylazetidin-1-ium-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (1-benzhydrylazetidin-1-ium-3-yl)-(4-mesylpiperazino)methanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-29(27,28)25-14-12-23(13-15-25)22(26)20-16-24(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3/p+1