2-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-2-methyl-propanenitrile

Systemtic Name: 2-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-2-methyl-propanenitrile Openeye Name: 2-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-2-methyl-propanenitrile CAS Name: 2-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-2-methylpropanenitrile IUPAC Name: 2-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-2-methylpropanenitrile Traditional Name: 2-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-2-methyl-propionitrile Formula: C13H26N3O2+ MolecularWeight: 256.36444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC(C)(C)C#N)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC(C)(C)C#N)O

InChI

InChI=1S/C13H25N3O2/c1-4-15-5-7-16(8-6-15)9-12(17)10-18-13(2,3)11-14/h12,17H,4-10H2,1-3H3/p+1/t12-/m0/s1