1,3-bis(phenylmethyl)-2-thiophen-2-yl-1,3-diazinane-1,3-diium

Systemtic Name: 1,3-bis(phenylmethyl)-2-thiophen-2-yl-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(2-thienyl)hexahydropyrimidine-1,3-diium CAS Name: 1,3-bis(phenylmethyl)-2-thiophen-2-yl-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-thiophen-2-yl-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-(2-thienyl)hexahydropyrimidine-1,3-diium Formula: C22H26N2S+2 MolecularWeight: 350.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2S/c1-3-9-19(10-4-1)17-23-14-8-15-24(18-20-11-5-2-6-12-20)22(23)21-13-7-16-25-21/h1-7,9-13,16,22H,8,14-15,17-18H2/p+2