1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-thiophen-2-yl-1,3-diazinane-1,3-diium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-thiophen-2-yl-1,3-diazinane-1,3-diium Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(p-tolylmethyl)-2-(2-thienyl)hexahydropyrimidine-1,3-diium CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-thiophen-2-yl-1,3-diazinane-1,3-diium IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-thiophen-2-yl-1,3-diazinane-1,3-diium Traditional Name: 1-(4-fluorobenzyl)-3-(4-methylbenzyl)-2-(2-thienyl)hexahydropyrimidine-1,3-diium Formula: C23H27FN2S+2 MolecularWeight: 382.537283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC[NH+](C2C3=CC=CS3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC[NH+](C2C3=CC=CS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2S/c1-18-5-7-19(8-6-18)16-25-13-3-14-26(23(25)22-4-2-15-27-22)17-20-9-11-21(24)12-10-20/h2,4-12,15,23H,3,13-14,16-17H2,1H3/p+2