(2S)-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile

Systemtic Name: (2S)-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]glutaronitrile Formula: C15H22N5O+ MolecularWeight: 288.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)CC(CCC#N)C#N

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C15H21N5O/c1-13-9-15(21-18-13)12-20-7-5-19(6-8-20)11-14(10-17)3-2-4-16/h9,14H,2-3,5-8,11-12H2,1H3/p+1/t14-/m1/s1