1-(4-ethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(4-ethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(4-ethylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3

InChI

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