phosphoric acid; 4-[(E)-piperidin-1-yliminomethyl]benzenecarbonitrile

Systemtic Name: phosphoric acid; 4-[(E)-piperidin-1-yliminomethyl]benzenecarbonitrile Openeye Name: phosphoric acid; 4-[(E)-1-piperidyliminomethyl]benzonitrile CAS Name: phosphoric acid; 4-[(E)-1-piperidinyliminomethyl]benzonitrile IUPAC Name: phosphoric acid; 4-[(E)-piperidin-1-yliminomethyl]benzonitrile Traditional Name: phosphoric acid; 4-[(E)-piperidinoiminomethyl]benzonitrile Formula: C13H18N3O4P MolecularWeight: 311.273481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N=CC2=CC=C(C=C2)C#N.OP(=O)(O)O

Isomeric SMILES

C1CCN(CC1)/N=C/C2=CC=C(C=C2)C#N.OP(=O)(O)O

InChI

InChI=1S/C13H15N3.H3O4P/c14-10-12-4-6-13(7-5-12)11-15-16-8-2-1-3-9-16;1-5(2,3)4/h4-7,11H,1-3,8-9H2;(H3,1,2,3,4)/b15-11+;