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

Systemtic Name: 2-(3-methylthiophen-2-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine-1,3-diium CAS Name: 2-(3-methyl-2-thiophenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(3-methylthiophen-2-yl)-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine-1,3-diium Formula: C23H28N2S+2 MolecularWeight: 364.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2[NH+](CCC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C2[NH+](CCC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2S/c1-19-13-16-26-22(19)23-24(17-20-9-4-2-5-10-20)14-8-15-25(23)18-21-11-6-3-7-12-21/h2-7,9-13,16,23H,8,14-15,17-18H2,1H3/p+2