2-[4-[5-(diethylsulfamoyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[5-(diethylsulfamoyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[5-(diethylsulfamoyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[5-(diethylsulfamoyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[5-(diethylsulfamoyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[5-(diethylsulfamoyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H32N5O3S+ MolecularWeight: 398.54338

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C18H31N5O3S/c1-4-9-19-18(24)15-21-10-12-22(13-11-21)17-8-7-16(14-20-17)27(25,26)23(5-2)6-3/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,19,24)/p+1