1-(6-chloranylpyridin-3-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(6-chloranylpyridin-3-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(6-chloropyridin-3-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-(2-methylbenzyl)piperazin-4-ium Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-14-4-2-3-5-15(14)13-20-8-10-21(11-9-20)24(22,23)16-6-7-17(18)19-12-16/h2-7,12H,8-11,13H2,1H3/p+1