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

Systemtic Name: (2R)-2-methyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-methyl-3-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile CAS Name: (2R)-2-methyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-methyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-methyl-3-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propionitrile Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2)C#N

InChI

InChI=1S/C18H25N3O2S/c1-15(13-19)14-20-8-10-21(11-9-20)24(22,23)18-7-6-16-4-2-3-5-17(16)12-18/h6-7,12,15H,2-5,8-11,14H2,1H3/p+1/t15-/m0/s1