2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-1-(4-tetralin-6-ylsulfonylpiperazino)ethanone Formula: C24H33N6O3S+ MolecularWeight: 485.62222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H32N6O3S/c31-23(19-27-10-12-29(13-11-27)24-25-8-3-9-26-24)28-14-16-30(17-15-28)34(32,33)22-7-6-20-4-1-2-5-21(20)18-22/h3,6-9,18H,1-2,4-5,10-17,19H2/p+1