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

Systemtic Name: 4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C17H19N4O2+ MolecularWeight: 311.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H18N4O2/c1-13-10-16(19-23-13)12-20-6-8-21(9-7-20)17(22)15-4-2-14(11-18)3-5-15/h2-5,10H,6-9,12H2,1H3/p+1