2-propyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pentanamide

Systemtic Name: 2-propyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pentanamide Openeye Name: 2-propyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pentanamide CAS Name: 2-propyl-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]pentanamide IUPAC Name: 2-propyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pentanamide Traditional Name: 2-propyl-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]valeramide Formula: C20H35N4O3S+ MolecularWeight: 411.5819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CCCC(CCC)C(=O)NCCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C20H34N4O3S/c1-3-8-18(9-4-2)20(25)22-12-7-17-28(26,27)24-15-13-23(14-16-24)19-10-5-6-11-21-19/h5-6,10-11,18H,3-4,7-9,12-17H2,1-2H3,(H,22,25)/p+1