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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)Cl

InChI

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