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

Systemtic Name: 2-methyl-2-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]propanenitrile Openeye Name: 2-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-propanenitrile CAS Name: 2-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-2-methylpropanenitrile IUPAC Name: 2-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methylpropanenitrile Traditional Name: 2-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-propionitrile Formula: C12H24N3O2+ MolecularWeight: 242.33786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OCC(CN1CC[NH+](CC1)C)O

Isomeric SMILES

CC(C)(C#N)OC[C@H](CN1CC[NH+](CC1)C)O

InChI

InChI=1S/C12H23N3O2/c1-12(2,10-13)17-9-11(16)8-15-6-4-14(3)5-7-15/h11,16H,4-9H2,1-3H3/p+1/t11-/m0/s1