1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3O2S/c1-16-6-7-17(2)18(15-16)25(23,24)14-13-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,15H,9-14H2,1-2H3/p+1