1-[3-(4-methoxyphenoxy)propyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-(4-methoxyphenoxy)propyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(4-methoxyphenoxy)propyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(4-methoxyphenoxy)propyl]-N-(4-sulfamoylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(4-methoxyphenoxy)propyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(4-methoxyphenoxy)propyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H29N3O5S/c1-29-19-5-7-20(8-6-19)30-16-2-13-25-14-11-17(12-15-25)22(26)24-18-3-9-21(10-4-18)31(23,27)28/h3-10,17H,2,11-16H2,1H3,(H,24,26)(H2,23,27,28)/p+1