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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C21H29N4O3S/c1-17-5-6-20(18(2)15-17)29(27,28)25-13-11-24(12-14-25)21(26)16-23-9-7-19(8-10-23)22(3)4/h5-10,15H,11-14,16H2,1-4H3/q+1