3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2S/c19-17-6-4-15(5-7-17)14-21-8-10-22(11-9-21)25(23,24)18-3-1-2-16(12-18)13-20/h1-7,12H,8-11,14H2/p+1