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

Systemtic Name: 4-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H20N4O/c1-14-10-17(22-19-14)13-21-8-6-20(7-9-21)12-16-4-2-15(11-18)3-5-16/h2-5,10H,6-9,12-13H2,1H3/p+1