1-(6-chloranylpyridin-3-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(6-chloranylpyridin-3-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(6-chloropyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-21-12-11-20(17-24-21)29(27,28)26-15-13-25(14-16-26)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,22H,13-16H2/p+1