(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-propanenitrile

Systemtic Name: (2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-propanenitrile Openeye Name: (2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-propanenitrile CAS Name: (2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-methylpropanenitrile IUPAC Name: (2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-methylpropanenitrile Traditional Name: (2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-propionitrile Formula: C10H20N3+ MolecularWeight: 182.2859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19N3/c1-3-12-4-6-13(7-5-12)9-10(2)8-11/h10H,3-7,9H2,1-2H3/p+1/t10-/m1/s1