2-[3,5-bis(cyanomethyl)-1,3,5-triazinane-1,3,5-triium-1-yl]ethanenitrile

Systemtic Name: 2-[3,5-bis(cyanomethyl)-1,3,5-triazinane-1,3,5-triium-1-yl]ethanenitrile Openeye Name: 2-[3,5-bis(cyanomethyl)-1,3,5-triazinane-1,3,5-triium-1-yl]acetonitrile CAS Name: 2-[3,5-bis(cyanomethyl)-1,3,5-triazinane-1,3,5-triium-1-yl]acetonitrile IUPAC Name: 2-[3,5-bis(cyanomethyl)-1,3,5-triazinane-1,3,5-triium-1-yl]acetonitrile Traditional Name: 2-[3,5-bis(cyanomethyl)-1,3,5-triazinane-1,3,5-triium-1-yl]acetonitrile Formula: C9H15N6+3 MolecularWeight: 207.2556

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH+](C[NH+](C[NH+]1CC#N)CC#N)CC#N

Isomeric SMILES

C1[NH+](C[NH+](C[NH+]1CC#N)CC#N)CC#N

InChI

InChI=1S/C9H12N6/c10-1-4-13-7-14(5-2-11)9-15(8-13)6-3-12/h4-9H2/p+3