1-(2,3-dimethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(2,3-dimethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2,3-dimethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinan-5-ium-2-thione Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H21N3S/c1-14-7-6-10-17(15(14)2)21-13-20(12-19-18(21)22)11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,19,22)/p+1