(2S)-2-(2-methylphenyl)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium

Systemtic Name: (2S)-2-(2-methylphenyl)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium Openeye Name: (2S)-1,3-dibenzyl-2-(o-tolyl)hexahydropyrimidin-1-ium CAS Name: (2S)-2-(2-methylphenyl)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium IUPAC Name: (2S)-1,3-dibenzyl-2-(2-methylphenyl)-1,3-diazinan-1-ium Traditional Name: (2S)-1,3-dibenzyl-2-(o-tolyl)hexahydropyrimidin-1-ium Formula: C25H29N2+ MolecularWeight: 357.51116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2[NH+](CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2[NH+](CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2/c1-21-11-8-9-16-24(21)25-26(19-22-12-4-2-5-13-22)17-10-18-27(25)20-23-14-6-3-7-15-23/h2-9,11-16,25H,10,17-20H2,1H3/p+1