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

Systemtic Name: 1-(2,5-dimethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(2,5-dimethylphenyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2,5-dimethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(2,5-dimethylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(2,5-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=CC(=C(C=C1)C)N2C[NH+](CNC2=S)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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