1-(3,4-dichlorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C16H18Cl2N3O2S+ MolecularWeight: 387.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O2S/c17-15-4-3-14(10-16(15)18)24(22,23)21-8-6-20(7-9-21)12-13-2-1-5-19-11-13/h1-5,10-11H,6-9,12H2/p+1