2-(4-propan-2-ylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-(4-propan-2-ylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(4-isopropylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(4-propan-2-ylphenoxy)-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(4-propan-2-ylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(4-isopropylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]acetamide Formula: C23H33N4O4S+ MolecularWeight: 461.59752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H32N4O4S/c1-19(2)20-7-9-21(10-8-20)31-18-23(28)25-12-5-17-32(29,30)27-15-13-26(14-16-27)22-6-3-4-11-24-22/h3-4,6-11,19H,5,12-18H2,1-2H3,(H,25,28)/p+1