[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [4-(2-keto-2-piperidino-ethoxy)-3-methoxy-benzyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O5S/c1-30-22-15-19(7-10-21(22)31-17-23(27)26-13-3-2-4-14-26)16-25-12-11-18-5-8-20(9-6-18)32(24,28)29/h5-10,15,25H,2-4,11-14,16-17H2,1H3,(H2,24,28,29)/p+1