1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-(4-tosylpiperazino)ethanone Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H32N3O3S/c1-4-20(5-2)21-10-12-24(13-11-21)18-23(27)25-14-16-26(17-15-25)30(28,29)22-8-6-19(3)7-9-22/h6-13,20H,4-5,14-18H2,1-3H3/q+1