1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O2S/c19-17-6-4-16(5-7-17)8-14-25(23,24)22-12-10-21(11-13-22)15-18-3-1-2-9-20-18/h1-9,14H,10-13,15H2/p+1/b14-8+