4-[(3,4-dimethoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-sulfamoylphenyl)-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C20H27N4O5S+ MolecularWeight: 435.51718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-28-18-8-3-15(13-19(18)29-2)14-23-9-11-24(12-10-23)20(25)22-16-4-6-17(7-5-16)30(21,26)27/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H2,21,26,27)/p+1