3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H21ClN3O3S+ MolecularWeight: 406.90634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20ClN3O3S/c20-17-4-6-18(7-5-17)26-13-12-22-8-10-23(11-9-22)27(24,25)19-3-1-2-16(14-19)15-21/h1-7,14H,8-13H2/p+1