1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H30N3O3S/c1-4-5-20-8-10-23(11-9-20)17-22(26)24-12-14-25(15-13-24)29(27,28)21-7-6-18(2)16-19(21)3/h6-11,16H,4-5,12-15,17H2,1-3H3/q+1