2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile CAS Name: 2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]benzonitrile IUPAC Name: 2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O2S/c20-16-18-8-4-5-9-19(18)25(23,24)22-14-12-21(13-15-22)11-10-17-6-2-1-3-7-17/h1-9H,10-15H2/p+1