3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile CAS Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propionitrile Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C17H23N3O2S/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/h6-7,14H,1-5,9-13H2/p+1