4-[(2S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]phenol

Systemtic Name: 4-[(2S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]phenol Openeye Name: 4-[(2S)-1,3-dibenzylhexahydropyrimidin-1-ium-2-yl]phenol CAS Name: 4-[(2S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]phenol IUPAC Name: 4-[(2S)-1,3-dibenzyl-1,3-diazinan-1-ium-2-yl]phenol Traditional Name: 4-[(2S)-1,3-dibenzylhexahydropyrimidin-1-ium-2-yl]phenol Formula: C24H27N2O+ MolecularWeight: 359.48398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+]([C@H](N(C1)CC2=CC=CC=C2)C3=CC=C(C=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O/c27-23-14-12-22(13-15-23)24-25(18-20-8-3-1-4-9-20)16-7-17-26(24)19-21-10-5-2-6-11-21/h1-6,8-15,24,27H,7,16-19H2/p+1