1-(4-tert-butylphenyl)sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium Openeye Name: 1-benzyl-3-(4-tert-butylphenyl)sulfonyl-hexahydropyrimidin-1-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium IUPAC Name: 1-benzyl-3-(4-tert-butylphenyl)sulfonyl-1,3-diazinan-1-ium Traditional Name: 1-benzyl-3-(4-tert-butylphenyl)sulfonyl-hexahydropyrimidin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-21(2,3)19-10-12-20(13-11-19)26(24,25)23-15-7-14-22(17-23)16-18-8-5-4-6-9-18/h4-6,8-13H,7,14-17H2,1-3H3/p+1