1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-5-carbonitrile

Systemtic Name: 1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-5-carbonitrile Openeye Name: 1,3-dibenzylhexahydropyrimidine-1,3-diium-5-carbonitrile CAS Name: 1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-5-carbonitrile IUPAC Name: 1,3-dibenzyl-1,3-diazinane-1,3-diium-5-carbonitrile Traditional Name: 1,3-dibenzylhexahydropyrimidine-1,3-diium-5-carbonitrile Formula: C19H23N3+2 MolecularWeight: 293.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+](C[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1C(C[NH+](C[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N3/c20-11-19-14-21(12-17-7-3-1-4-8-17)16-22(15-19)13-18-9-5-2-6-10-18/h1-10,19H,12-16H2/p+2