(3,4-dimethoxyphenyl)methyl-[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1R)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2R)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2R)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]-veratryl-ammonium Formula: C23H32N3O5S+ MolecularWeight: 462.58228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH2+]CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH2+]CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O5S/c1-17(24-16-18-7-12-21(30-2)22(15-18)31-3)23(27)25-19-8-10-20(11-9-19)32(28,29)26-13-5-4-6-14-26/h7-12,15,17,24H,4-6,13-14,16H2,1-3H3,(H,25,27)/p+1/t17-/m1/s1