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

Systemtic Name: 2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(3-phenoxypropyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N3O3S/c21-17-18-7-4-5-10-20(18)27(24,25)23-14-12-22(13-15-23)11-6-16-26-19-8-2-1-3-9-19/h1-5,7-10H,6,11-16H2/p+1