3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile Openeye Name: 3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile Traditional Name: 3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionitrile Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H19N3O2S/c18-8-3-9-19-10-12-20(13-11-19)23(21,22)17-7-6-15-4-1-2-5-16(15)14-17/h1-2,4-7,14H,3,9-13H2/p+1