N-[4-(dimethylsulfamoyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-(dimethylsulfamoyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-(dimethylsulfamoyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[4-(dimethylsulfamoyl)phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[4-(dimethylsulfamoyl)phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-(dimethylsulfamoyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N5O3S/c1-21(2)27(25,26)16-8-6-15(7-9-16)20-18(24)23-13-11-22(12-14-23)17-5-3-4-10-19-17/h3-10H,11-14H2,1-2H3,(H,20,24)/p+1