1,3-diphenethyl-1,3-diazinane-1,3-diium-5-carbonitrile

Systemtic Name: 1,3-diphenethyl-1,3-diazinane-1,3-diium-5-carbonitrile Openeye Name: 1,3-diphenethylhexahydropyrimidine-1,3-diium-5-carbonitrile CAS Name: 1,3-diphenethyl-1,3-diazinane-1,3-diium-5-carbonitrile IUPAC Name: 1,3-diphenethyl-1,3-diazinane-1,3-diium-5-carbonitrile Traditional Name: 1,3-diphenethylhexahydropyrimidine-1,3-diium-5-carbonitrile Formula: C21H27N3+2 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+](C[NH+]1CCC2=CC=CC=C2)CCC3=CC=CC=C3)C#N

Isomeric SMILES

C1C(C[NH+](C[NH+]1CCC2=CC=CC=C2)CCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H25N3/c22-15-21-16-23(13-11-19-7-3-1-4-8-19)18-24(17-21)14-12-20-9-5-2-6-10-20/h1-10,21H,11-14,16-18H2/p+2