3-(dimethylamino)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3-(dimethylamino)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3-(dimethylamino)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3-(dimethylamino)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-23(2)18-7-5-6-17(16-18)20(26)22-10-15-29(27,28)25-13-11-24(12-14-25)19-8-3-4-9-21-19/h3-9,16H,10-15H2,1-2H3,(H,22,26)/p+1