(4-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(3-piperidinosulfonylanilino)ethyl]-methyl-p-anisyl-ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-24(16-18-9-11-20(29-2)12-10-18)17-22(26)23-19-7-6-8-21(15-19)30(27,28)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16-17H2,1-2H3,(H,23,26)/p+1